3440 -OEChem-10051719213D 32 33 0 0 0 0 0 0 0999 V2000 -2.5979 2.9547 0.0275 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 0.2607 0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 0.0886 -0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 -0.9877 0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8239 1.5312 0.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 -3.3535 0.6945 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1084 -2.6916 -0.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5602 0.0029 0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6831 0.2647 -1.6747 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 0.0623 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 0.2221 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6166 -1.1037 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0089 -1.0238 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 1.1702 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4779 1.3084 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 1.3883 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 0.8225 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 -2.4205 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 1.1107 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0013 0.5011 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 -0.1077 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -1.9298 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 1.7744 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 1.7920 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -0.9114 0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 2.2342 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7981 1.6821 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0741 -0.5885 -2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0364 1.1329 -2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0094 0.5049 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 -0.6886 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 -4.2366 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 6 18 1 0 0 0 0 6 32 1 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END > DB00695 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZZUFCTLCJUWOSV-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O > InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) > ZZUFCTLCJUWOSV-UHFFFAOYSA-N > C12H11ClN2O5S > 330.744 > 330.007719869 > 5 > 32 > -0.9996945189402325 > 30.554962070680062 > 1 > 3 > 0 > 1 > 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid > 2.71 > 1.7484020586666662 > -3.45 > 0 > -1 > 2 > -1 > 9.830331077568495 > 4.251508024776027 > -1.521427462656208 > 122.63000000000001 > 77.47420000000001 > 5 > 1 > 1.18e-01 g/l > tetrahydrofolic acid > 0 $$$$