[(17S)-2-cyano-13-methyl-3-(sulfamoylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate

Systemtic Name: [(17S)-2-cyano-13-methyl-3-(sulfamoylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate Openeye Name: [(17S)-2-cyano-13-methyl-3-(sulfamoylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate CAS Name: acetic acid [(17S)-2-cyano-13-methyl-3-(sulfamoylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(17S)-2-cyano-13-methyl-3-(sulfamoylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate Traditional Name: acetic acid [(17S)-2-cyano-13-methyl-3-(sulfamoylmethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=C(C(=C4)CS(=O)(=O)N)C#N)C

Isomeric SMILES

CC(=O)O[C@H]1CCC2C1(CCC3C2CCC4=C3C=C(C(=C4)CS(=O)(=O)N)C#N)C

InChI

InChI=1S/C22H28N2O4S/c1-13(25)28-21-6-5-20-18-4-3-14-9-16(12-29(24,26)27)15(11-23)10-19(14)17(18)7-8-22(20,21)2/h9-10,17-18,20-21H,3-8,12H2,1-2H3,(H2,24,26,27)/t17?,18?,20?,21-,22?/m0/s1