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

Systemtic Name: phenyl 3-[[4-cyclohexyl-1-(phenylsulfonyl)piperidin-4-yl]methyl]-4-methyl-1-methylsulfanyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidyl]methyl]-4-methyl-1-methylsulfanyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[[1-(benzenesulfonyl)-4-cyclohexyl-4-piperidinyl]methyl]-4-methyl-1-(methylthio)-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[[1-(benzenesulfonyl)-4-cyclohexylpiperidin-4-yl]methyl]-4-methyl-1-methylsulfanyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[(1-besyl-4-cyclohexyl-4-piperidyl)methyl]-2-keto-4-methyl-1-(methylthio)imidazolidine-4-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)S(=O)(=O)C3=CC=CC=C3)C4CCCCC4)SC)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

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

InChI

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