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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-(phenylmethyl)imidazolidine-1-sulfonate Openeye Name: phenyl 4-benzyl-3-[(4-cyclohexyl-1-methylsulfanyl-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidinyl]methyl]-4-methyl-2-oxo-4-(phenylmethyl)-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-3-[(4-cyclohexyl-1-methylsulfanylpiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-1-sulfonate Traditional Name: 4-benzyl-3-[[4-cyclohexyl-1-(methylthio)-4-piperidyl]methyl]-2-keto-4-methyl-imidazolidine-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)SC)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1(CN(C(=O)N1CC2(CCN(CC2)SC)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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