sodium; (4-aminophenyl)sulfonyl-ethanoyl-azanide; (6S,8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; hydrate

Systemtic Name: sodium; (4-aminophenyl)sulfonyl-ethanoyl-azanide; (6S,8S,9R,10S,11S,13S,14S,17R)-17-ethanoyl-9-fluoranyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; hydrate Openeye Name: sodium; acetyl-(4-aminophenyl)sulfonyl-azanide; (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; hydrate CAS Name: sodium; acetyl-(4-aminophenyl)sulfonylazanide; (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; hydrate IUPAC Name: sodium; acetyl-(4-aminophenyl)sulfonylazanide; (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; hydrate Traditional Name: sodium; (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; acetyl(sulfanilyl)azanide; hydrate Formula: C30H40FN2NaO8S MolecularWeight: 630.700373

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O.CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.O.[Na+]

Isomeric SMILES

C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O.CC(=O)[N-]S(=O)(=O)C1=CC=C(C=C1)N.O.[Na+]

InChI

InChI=1S/C22H29FO4.C8H10N2O3S.Na.H2O/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3;2-5H,9H2,1H3,(H,10,11);;1H2/q;;+1;/p-1/t12-,15-,17-,18-,19-,20-,21-,22-;;;/m0.../s1