phenyl 4-cyclohexyl-4-[[5-ethyl-5-methyl-2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate

Systemtic Name: phenyl 4-cyclohexyl-4-[[5-ethyl-5-methyl-2-oxidanylidene-3-(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-[(3-benzyl-5-ethyl-5-methyl-2-oxo-imidazolidin-1-yl)methyl]-4-cyclohexyl-piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[[5-ethyl-5-methyl-2-oxo-3-(phenylmethyl)-1-imidazolidinyl]methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[(3-benzyl-5-ethyl-5-methyl-2-oxoimidazolidin-1-yl)methyl]-4-cyclohexylpiperidine-1-sulfonate Traditional Name: 4-[(3-benzyl-5-ethyl-2-keto-5-methyl-imidazolidin-1-yl)methyl]-4-cyclohexyl-piperidine-1-sulfonic acid phenyl ester Formula: C31H43N3O4S MolecularWeight: 553.75582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)CC5=CC=CC=C5)C

Isomeric SMILES

CCC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C31H43N3O4S/c1-3-30(2)24-32(23-26-13-7-4-8-14-26)29(35)34(30)25-31(27-15-9-5-10-16-27)19-21-33(22-20-31)39(36,37)38-28-17-11-6-12-18-28/h4,6-8,11-14,17-18,27H,3,5,9-10,15-16,19-25H2,1-2H3