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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-ethoxy-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-1-(phenylmethyl)imidazolidine-4-sulfonate Openeye Name: phenyl 1-benzyl-3-[(4-cyclohexyl-1-ethoxy-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[(4-cyclohexyl-1-ethoxy-4-piperidinyl)methyl]-4-methyl-2-oxo-1-(phenylmethyl)-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 1-benzyl-3-[(4-cyclohexyl-1-ethoxypiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 1-benzyl-3-[(4-cyclohexyl-1-ethoxy-4-piperidyl)methyl]-2-keto-4-methyl-imidazolidine-4-sulfonic acid phenyl ester Formula: C31H43N3O5S MolecularWeight: 569.75522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON1CCC(CC1)(CN2C(=O)N(CC2(C)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCON1CCC(CC1)(CN2C(=O)N(CC2(C)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C31H43N3O5S/c1-3-38-33-21-19-31(20-22-33,27-15-9-5-10-16-27)25-34-29(35)32(23-26-13-7-4-8-14-26)24-30(34,2)40(36,37)39-28-17-11-6-12-18-28/h4,6-8,11-14,17-18,27H,3,5,9-10,15-16,19-25H2,1-2H3