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

Systemtic Name: phenyl 3-[[4-cyclohexyl-1-(phenylmethyl)piperidin-4-yl]methyl]-4-methyl-1-methylsulfanyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[(1-benzyl-4-cyclohexyl-4-piperidyl)methyl]-4-methyl-1-methylsulfanyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(phenylmethyl)-4-piperidinyl]methyl]-4-methyl-1-(methylthio)-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(1-benzyl-4-cyclohexylpiperidin-4-yl)methyl]-4-methyl-1-methylsulfanyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[(1-benzyl-4-cyclohexyl-4-piperidyl)methyl]-2-keto-4-methyl-1-(methylthio)imidazolidine-4-sulfonic acid phenyl ester Formula: C30H41N3O4S2 MolecularWeight: 571.79424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)N1CC2(CCN(CC2)CC3=CC=CC=C3)C4CCCCC4)SC)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)CC3=CC=CC=C3)C4CCCCC4)SC)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C30H41N3O4S2/c1-29(39(35,36)37-27-16-10-5-11-17-27)23-33(38-2)28(34)32(29)24-30(26-14-8-4-9-15-26)18-20-31(21-19-30)22-25-12-6-3-7-13-25/h3,5-7,10-13,16-17,26H,4,8-9,14-15,18-24H2,1-2H3