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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC(N(C1=O)CC2(CCN(CC2)CC3=CC=CC=C3)C4CCCCC4)(C)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CCON1CC(N(C1=O)CC2(CCN(CC2)CC3=CC=CC=C3)C4CCCCC4)(C)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H43N3O5S/c1-3-38-34-24-30(2,40(36,37)39-28-17-11-6-12-18-28)33(29(34)35)25-31(27-15-9-5-10-16-27)19-21-32(22-20-31)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