10229498 -OEChem-03061912223D 43 46 0 0 0 0 0 0 0999 V2000 0.5447 1.9077 -3.0376 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 3.0144 2.2838 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 -1.0882 -1.8844 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 -4.4730 -0.8535 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 0.3339 0.9811 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8266 2.7063 -0.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 0.6372 2.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 0.0104 0.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6308 1.5985 -0.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9803 0.9052 -0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 1.8808 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 -1.0272 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4705 2.4298 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 1.7735 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 2.2648 0.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 -0.6398 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2254 2.0502 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 2.5416 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3843 -1.6217 -0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -1.4757 1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 1.6846 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5438 -0.3392 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 0.4013 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 -2.6917 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 -2.5458 0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 -1.9500 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0609 1.8818 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 -3.1537 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 -1.3739 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6834 -2.9654 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 -2.6766 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1573 1.6970 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 1.4726 -2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0146 2.3839 1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -1.0252 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 0.1485 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 -3.1674 -2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -2.8964 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -2.1875 0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 2.8623 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -1.1737 0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 -3.9765 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 -3.4629 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 28 1 0 0 0 0 5 7 2 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 22 1 0 0 0 0 10 27 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 26 2 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 29 2 0 0 0 0 23 36 1 0 0 0 0 24 28 2 0 0 0 0 24 37 1 0 0 0 0 25 28 1 0 0 0 0 25 38 1 0 0 0 0 26 30 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 29 31 1 0 0 0 0 29 41 1 0 0 0 0 30 31 2 0 0 0 0 30 42 1 0 0 0 0 31 43 1 0 0 0 0 M END > DB05490 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NMRWDFUZLLQSBN-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1 > InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H > NMRWDFUZLLQSBN-UHFFFAOYSA-N > C21H12Cl4N2O3S > 514.209 > 511.932273778 > 3 > 43 > 45.90574605176605 > 0 > 1 > 0 > 0 > 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzene-1-sulfonamide > 6.43 > 6.535031643666667 > -6.87 > 0 > 4 > 0 > 7.114317319089268 > 3.7461869013869813 > 68.29 > 122.2715 > 4 > 0 > 6.99e-05 g/l > diphemanil methyl sulfate(1-) > 0 $$$$