6604229 -OEChem-10051721243D 28 29 0 1 0 0 0 0 0999 V2000 -4.2221 2.2580 -0.9433 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1454 -0.4845 -0.6126 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 2.6269 0.2568 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 -1.7074 0.1728 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 -0.4890 -0.2246 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -2.8158 0.9858 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7677 -1.8920 -1.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 0.4755 0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -1.8911 0.1557 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6695 -0.9273 1.0085 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 1.3332 0.6352 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 -0.3712 -1.9237 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 0.4815 0.6652 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1591 -0.4634 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5008 0.8792 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 -0.8763 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1849 0.0679 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7233 0.5788 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5545 1.8070 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8813 1.4099 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6038 0.8578 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 -1.1569 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 2.3345 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.9268 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 0.2818 -1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 2.8605 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 0.3711 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 -1.2457 -2.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 4 6 2 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 2 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 20 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 M END > DB08645 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LMJSLTNSBFUCMU-MRVPVSSYSA-N/SDF?record_type=3d > [H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl > InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1 > LMJSLTNSBFUCMU-MRVPVSSYSA-N > C8H8Cl3N3O4S2 > 380.656 > 378.90218026 > 5 > 28 > -0.05113758710882739 > 31.99642466457655 > 1 > 3 > 0 > 1 > (3R)-6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide > 0.86 > 0.9733494586666664 > -2.96 > 0 > 0 > 2 > 0 > 9.532196642422337 > 8.322179814553696 > -4.055106429314076 > 118.35999999999999 > 77.43509999999999 > 2 > 1 > 4.15e-01 g/l > tetrahydrofolic acid > 0 $$$$