2315 -OEChem-10051719153D 41 43 0 1 0 0 0 0 0999 V2000 -0.3624 -2.7842 0.0617 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -0.4159 -0.4424 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3023 3.3031 0.6950 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 2.1233 1.2521 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 2.4991 -0.8468 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 -3.8311 0.7461 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 -2.9262 -1.3238 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1659 0.6741 0.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -1.7923 -0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 -2.3659 1.0207 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 0.0540 0.8261 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 -0.1290 -2.1261 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -1.0292 0.8258 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5951 -1.3080 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -0.0926 0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1545 -0.9877 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -1.4097 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8286 1.0359 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 -0.2727 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1943 0.9507 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2003 0.0919 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 2.1949 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4534 -0.1997 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 1.3654 -0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4231 0.8012 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8685 2.3663 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1306 2.0842 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9596 -0.8762 1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7106 -2.6981 1.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6848 0.9880 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 -1.9520 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -0.8412 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -2.3702 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3929 1.9954 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6909 -1.1949 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9205 1.5966 -1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.7604 -2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -0.9255 -2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4057 0.5818 0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 3.3651 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8856 2.8636 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END > DB00436 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HDWIHXWEUNVBIY-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F > InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23) > HDWIHXWEUNVBIY-UHFFFAOYSA-N > C15H14F3N3O4S2 > 421.415 > 421.037781946 > 5 > 41 > -0.01019626271955886 > 36.917354169527556 > 1 > 3 > 0 > 1 > 3-benzyl-1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide > 1.83 > 1.6983960133333333 > -3.29 > 0 > 0 > 3 > 0 > 9.983066826584121 > 9.043274240517011 > -3.0946396028038916 > 118.36 > 93.68460000000003 > 4 > 1 > 2.14e-01 g/l > biotin > 0 $$$$