3647 -OEChem-10051719223D 28 29 0 0 0 0 0 0 0999 V2000 -3.1069 0.9830 -0.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 1.6808 -0.0702 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 -2.7627 -0.0109 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 -1.0579 -1.1285 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -1.0196 1.0458 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 1.3029 1.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1255 1.9915 -1.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3508 0.9385 -0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 2.9001 -0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -2.0373 0.0418 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 -0.3411 -0.5206 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 2.0581 1.5443 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4996 0.2519 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3536 -1.1440 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 0.5863 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -0.7939 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 1.1160 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7878 -1.6080 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 -1.6466 0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -1.3980 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5631 2.1902 -0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 -2.3780 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 -1.4950 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1045 -2.7255 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 -3.0279 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -0.4336 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5584 3.0351 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 1.4127 2.2696 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 11 1 0 0 0 0 1 13 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 15 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 M END > DB00774 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DMDGGSIALPNSEE-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F > InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16) > DMDGGSIALPNSEE-UHFFFAOYSA-N > C8H8F3N3O4S2 > 331.292 > 330.990831754 > 5 > 28 > -0.009638898204571575 > 25.682968710782962 > 1 > 3 > 0 > 1 > 1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide > 0.44 > -0.30181397099999996 > -2.59 > 0 > 0 > 2 > 0 > 10.049666753563136 > 9.065968668241249 > -2.73831760768688 > 118.36 > 64.27850000000001 > 2 > 1 > 8.58e-01 g/l > tetrahydrofolic acid > 0 $$$$