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

Systemtic Name: phenyl 4-cyclohexyl-4-[[5-methyl-3-methylsulfanyl-2-oxidanylidene-5-(phenylmethyl)imidazolidin-1-yl]methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-[(5-benzyl-5-methyl-3-methylsulfanyl-2-oxo-imidazolidin-1-yl)methyl]-4-cyclohexyl-piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[[5-methyl-3-(methylthio)-2-oxo-5-(phenylmethyl)-1-imidazolidinyl]methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[(5-benzyl-5-methyl-3-methylsulfanyl-2-oxoimidazolidin-1-yl)methyl]-4-cyclohexylpiperidine-1-sulfonate Traditional Name: 4-[[5-benzyl-2-keto-5-methyl-3-(methylthio)imidazolidin-1-yl]methyl]-4-cyclohexyl-piperidine-1-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)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)SC)CC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)S(=O)(=O)OC3=CC=CC=C3)C4CCCCC4)SC)CC5=CC=CC=C5

InChI

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