ethyl (1S)-5-(4-methylphenyl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S)-5-(4-methylphenyl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1S)-3-oxo-5-(p-tolylsulfonyl)-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylate CAS Name: (1S)-5-(4-methylphenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S)-5-(4-methylphenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S)-3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methyl]-5-tosyl-cyclohexanecarboxylic acid ethyl ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)[C@H]1CC(CC(=O)C1CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H34N2O5S/c1-3-34-27(31)25-17-23(35(32,33)22-6-4-19(2)5-7-22)18-26(30)24(25)16-20-10-14-29(15-11-20)21-8-12-28-13-9-21/h4-9,12-13,20,23-25H,3,10-11,14-18H2,1-2H3/t23?,24?,25-/m0/s1