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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-piperidin-4-yl)methyl]-4-methyl-2-oxidanylidene-4-propyl-imidazolidine-1-sulfonate Openeye Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-4-piperidyl)methyl]-4-methyl-2-oxo-4-propyl-imidazolidine-1-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidinyl]methyl]-4-methyl-2-oxo-4-propyl-1-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanylpiperidin-4-yl)methyl]-4-methyl-2-oxo-4-propylimidazolidine-1-sulfonate Traditional Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidyl]methyl]-2-keto-4-methyl-4-propyl-imidazolidine-1-sulfonic acid phenyl ester Formula: C26H41N3O4S2 MolecularWeight: 523.75144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CN(C(=O)N1CC2(CCN(CC2)SC)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CCCC1(CN(C(=O)N1CC2(CCN(CC2)SC)C3CCCCC3)S(=O)(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C26H41N3O4S2/c1-4-15-25(2)20-29(35(31,32)33-23-13-9-6-10-14-23)24(30)28(25)21-26(22-11-7-5-8-12-22)16-18-27(34-3)19-17-26/h6,9-10,13-14,22H,4-5,7-8,11-12,15-21H2,1-3H3