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

Systemtic Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-piperidin-4-yl)methyl]-1-ethoxy-4-methyl-2-oxidanylidene-imidazolidine-4-sulfonate Openeye Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanyl-4-piperidyl)methyl]-1-ethoxy-4-methyl-2-oxo-imidazolidine-4-sulfonate CAS Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidinyl]methyl]-1-ethoxy-4-methyl-2-oxo-4-imidazolidinesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(4-cyclohexyl-1-methylsulfanylpiperidin-4-yl)methyl]-1-ethoxy-4-methyl-2-oxoimidazolidine-4-sulfonate Traditional Name: 3-[[4-cyclohexyl-1-(methylthio)-4-piperidyl]methyl]-1-ethoxy-2-keto-4-methyl-imidazolidine-4-sulfonic acid phenyl ester Formula: C25H39N3O5S2 MolecularWeight: 525.72426

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC(N(C1=O)CC2(CCN(CC2)SC)C3CCCCC3)(C)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCON1CC(N(C1=O)CC2(CCN(CC2)SC)C3CCCCC3)(C)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O5S2/c1-4-32-28-19-24(2,35(30,31)33-22-13-9-6-10-14-22)27(23(28)29)20-25(21-11-7-5-8-12-21)15-17-26(34-3)18-16-25/h6,9-10,13-14,21H,4-5,7-8,11-12,15-20H2,1-3H3