phenyl 3-[[4-cyclohexyl-1-(phenylsulfonyl)piperidin-4-yl]methyl]-4-methyl-2-oxidanylidene-4-propyl-imidazolidine-1-sulfonate

Systemtic Name: phenyl 3-[[4-cyclohexyl-1-(phenylsulfonyl)piperidin-4-yl]methyl]-4-methyl-2-oxidanylidene-4-propyl-imidazolidine-1-sulfonate Openeye Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidyl]methyl]-4-methyl-2-oxo-4-propyl-imidazolidine-1-sulfonate CAS Name: 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidinyl]methyl]-4-methyl-2-oxo-4-propyl-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexylpiperidin-4-yl]methyl]-4-methyl-2-oxo-4-propylimidazolidine-1-sulfonate Traditional Name: 3-[(1-besyl-4-cyclohexyl-4-piperidyl)methyl]-2-keto-4-methyl-4-propyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C31H43N3O6S2 MolecularWeight: 617.81962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)C

Isomeric SMILES

CCCC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4CCCCC4)S(=O)(=O)OC5=CC=CC=C5)C

InChI

InChI=1S/C31H43N3O6S2/c1-3-19-30(2)24-34(42(38,39)40-27-15-9-5-10-16-27)29(35)33(30)25-31(26-13-7-4-8-14-26)20-22-32(23-21-31)41(36,37)28-17-11-6-12-18-28/h5-6,9-12,15-18,26H,3-4,7-8,13-14,19-25H2,1-2H3