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

Systemtic Name: ethyl 3-oxidanylidene-5-(phenylsulfonyl)-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: ethyl 5-(benzenesulfonyl)-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylate CAS Name: 5-(benzenesulfonyl)-3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzenesulfonyl)-3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Traditional Name: 5-besyl-3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S/c1-2-33-26(30)24-17-22(34(31,32)21-6-4-3-5-7-21)18-25(29)23(24)16-19-10-14-28(15-11-19)20-8-12-27-13-9-20/h3-9,12-13,19,22-24H,2,10-11,14-18H2,1H3