6-chloranyl-3-(2-methylpropyl)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 3-[(7R,8R,9S,10R,13S,14S)-7-ethanoylsulfanyl-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide; 3-[(7R,8R,9S,10R,13S,14S)-7-ethanoylsulfanyl-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid Openeye Name: 3-[(7R,8R,9S,10R,13S,14S)-7-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid; 6-chloro-3-isobutyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide CAS Name: 3-[(7R,8R,9S,10R,13S,14S)-7-(acetylthio)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid; 6-chloro-3-(2-methylpropyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide IUPAC Name: 3-[(7R,8R,9S,10R,13S,14S)-7-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid; 6-chloro-3-(2-methylpropyl)-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide Traditional Name: 3-[(7R,8R,9S,10R,13S,14S)-7-(acetylthio)-17-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propionic acid; 6-chloro-3-isobutyl-1,1-diketo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide Formula: C35H50ClN3O9S3 MolecularWeight: 788.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(CCC(=O)O)O)C

Isomeric SMILES

CC(C)CC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl.CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CCC([C@]4(CC3)C)(CCC(=O)O)O)C

InChI

InChI=1S/C24H34O5S.C11H16ClN3O4S2/c1-14(25)30-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23,29)11-7-20(27)28;1-6(2)3-11-14-8-4-7(12)9(20(13,16)17)5-10(8)21(18,19)15-11/h12,17-19,21,29H,4-11,13H2,1-3H3,(H,27,28);4-6,11,14-15H,3H2,1-2H3,(H2,13,16,17)/t17-,18-,19+,21+,22-,23-,24?;/m0./s1