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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-piperidin-4-yl)methyl]-4-ethyl-4-methyl-2-oxidanylidene-imidazolidine-1-sulfonate Openeye Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-4-piperidyl)methyl]-4-ethyl-4-methyl-2-oxo-imidazolidine-1-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidinyl]methyl]-4-ethyl-4-methyl-2-oxo-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanylpiperidin-4-yl)methyl]-4-ethyl-4-methyl-2-oxoimidazolidine-1-sulfonate Traditional Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidyl]methyl]-4-ethyl-2-keto-4-methyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C25H39N3O4S2 MolecularWeight: 509.72486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(C(=O)N1CC2(CCN(CC2)SC)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CCC1(CN(C(=O)N1CC2(CCN(CC2)SC)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H39N3O4S2/c1-4-24(2)19-28(34(30,31)32-22-13-9-6-10-14-22)23(29)27(24)20-25(21-11-7-5-8-12-21)15-17-26(33-3)18-16-25/h6,9-10,13-14,21H,4-5,7-8,11-12,15-20H2,1-3H3