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

Systemtic Name: ethyl (1S)-5-(4-methoxyphenyl)sulfonyl-3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Openeye Name: ethyl (1S)-5-(4-methoxyphenyl)sulfonyl-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylate CAS Name: (1S)-5-(4-methoxyphenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S)-5-(4-methoxyphenyl)sulfonyl-3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexane-1-carboxylate Traditional Name: (1S)-3-keto-5-(4-methoxyphenyl)sulfonyl-2-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexanecarboxylic acid ethyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O6S/c1-3-35-27(31)25-17-23(36(32,33)22-6-4-21(34-2)5-7-22)18-26(30)24(25)16-19-10-14-29(15-11-19)20-8-12-28-13-9-20/h4-9,12-13,19,23-25H,3,10-11,14-18H2,1-2H3/t23?,24?,25-/m0/s1