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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-(phenylsulfonyl)imidazolidine-1-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-3-[(4-cyclohexyl-1-methylsulfanyl-4-piperidyl)methyl]-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 4-(benzenesulfonyl)-3-[[4-cyclohexyl-1-(methylthio)-4-piperidinyl]methyl]-4-methyl-2-oxo-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-3-[(4-cyclohexyl-1-methylsulfanylpiperidin-4-yl)methyl]-4-methyl-2-oxoimidazolidine-1-sulfonate Traditional Name: 4-besyl-3-[[4-cyclohexyl-1-(methylthio)-4-piperidyl]methyl]-2-keto-4-methyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C29H39N3O6S3 MolecularWeight: 621.83146

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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)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O6S3/c1-28(40(34,35)26-16-10-5-11-17-26)22-32(41(36,37)38-25-14-8-4-9-15-25)27(33)31(28)23-29(24-12-6-3-7-13-24)18-20-30(39-2)21-19-29/h4-5,8-11,14-17,24H,3,6-7,12-13,18-23H2,1-2H3