N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]-1,1,1-trifluoro-methanesulfonamide CAS Name: N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]-1,1,1-trifluoromethanesulfonamide IUPAC Name: N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]-1,1,1-trifluoromethanesulfonamide Traditional Name: 1,1,1-trifluoro-N-[(3S,8R,9S,10R,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]methanesulfonamide Formula: C20H28F3NO3S MolecularWeight: 419.50143

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)NS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)NS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C20H28F3NO3S/c1-18-9-7-13(24-28(26,27)20(21,22)23)11-12(18)3-4-14-15-5-6-17(25)19(15,2)10-8-16(14)18/h3,13-16,24H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1