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

Systemtic Name: phenyl 4-cyclohexyl-4-[(5-methyl-3-methylsulfanyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonate Openeye Name: phenyl 4-cyclohexyl-4-[(5-methyl-3-methylsulfanyl-2-oxo-5-phenyl-imidazolidin-1-yl)methyl]piperidine-1-sulfonate CAS Name: 4-cyclohexyl-4-[[5-methyl-3-(methylthio)-2-oxo-5-phenyl-1-imidazolidinyl]methyl]-1-piperidinesulfonic acid phenyl ester IUPAC Name: phenyl 4-cyclohexyl-4-[(5-methyl-3-methylsulfanyl-2-oxo-5-phenylimidazolidin-1-yl)methyl]piperidine-1-sulfonate Traditional Name: 4-cyclohexyl-4-[[2-keto-5-methyl-3-(methylthio)-5-phenyl-imidazolidin-1-yl]methyl]piperidine-1-sulfonic acid phenyl ester Formula: C29H39N3O4S2 MolecularWeight: 557.76766

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O4S2/c1-28(24-12-6-3-7-13-24)22-32(37-2)27(33)31(28)23-29(25-14-8-4-9-15-25)18-20-30(21-19-29)38(34,35)36-26-16-10-5-11-17-26/h3,5-7,10-13,16-17,25H,4,8-9,14-15,18-23H2,1-2H3