(8S,9S,13S,14S,17S)-17-[di(propan-2-yl)carbamoyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonic acid

Systemtic Name: (8S,9S,13S,14S,17S)-17-[di(propan-2-yl)carbamoyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonic acid Openeye Name: (8S,9S,13S,14S,17S)-17-(diisopropylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonic acid CAS Name: (8S,9S,13S,14S,17S)-17-[[di(propan-2-yl)amino]-oxomethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonic acid IUPAC Name: (8S,9S,13S,14S,17S)-17-[di(propan-2-yl)carbamoyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonic acid Traditional Name: (8S,9S,13S,14S,17S)-17-(diisopropylcarbamoyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3-sulfonic acid Formula: C25H37NO4S MolecularWeight: 447.63058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)S(=O)(=O)O)C

Isomeric SMILES

CC(C)N(C(C)C)C(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)S(=O)(=O)O)C

InChI

InChI=1S/C25H37NO4S/c1-15(2)26(16(3)4)24(27)23-11-10-22-21-8-6-17-14-18(31(28,29)30)7-9-19(17)20(21)12-13-25(22,23)5/h7,9,14-16,20-23H,6,8,10-13H2,1-5H3,(H,28,29,30)/t20-,21-,22+,23-,25+/m1/s1