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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CCC(CC1)(CN2C(=O)N(CC2(C)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CCON1CCC(CC1)(CN2C(=O)N(CC2(C)CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C5CCCCC5

InChI

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