2720 -OEChem-10051719253D 23 24 0 0 0 0 0 0 0999 V2000 -2.7253 2.3981 0.0362 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 -1.1742 0.0118 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 -0.8233 0.0959 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 -1.9171 -1.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4092 -1.8751 1.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 -2.1384 0.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9596 0.0883 0.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3558 1.8403 -0.0376 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7005 -0.1643 -0.0261 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -1.0027 -1.5733 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9686 -0.1616 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 1.2288 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 -0.0061 0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 -0.7889 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 1.9979 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 1.3848 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 1.1136 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3332 -1.8734 0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 3.0838 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 2.8537 -0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3992 1.7694 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2286 -1.9478 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 -0.4252 -1.9852 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 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 17 2 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 21 1 0 0 0 0 M END > DB00880 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JBMKAUGHUNFTOL-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1 > InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13) > JBMKAUGHUNFTOL-UHFFFAOYSA-N > C7H6ClN3O4S2 > 295.723 > 294.948824782 > 6 > 23 > -0.006349719877465103 > 24.546188424740727 > 1 > 2 > 0 > 0 > 6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide > 0.41 > -0.4421814846666665 > -2.87 > 0 > 0 > 2 > 0 > 14.024317493436312 > 9.194485501052718 > -4.207054800788439 > 118.69 > 62.508200000000016 > 1 > 1 > 3.98e-01 g/l > tetrahydrofolic acid > 0 $$$$