ethyl 4-[(3S)-3-ethoxycarbonyl-5-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexyl]sulfonylbenzoate

Systemtic Name: ethyl 4-[(3S)-3-ethoxycarbonyl-5-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexyl]sulfonylbenzoate Openeye Name: ethyl 4-[(3S)-3-ethoxycarbonyl-5-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexyl]sulfonylbenzoate CAS Name: 4-[(3S)-3-ethoxycarbonyl-5-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]cyclohexyl]sulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-ethoxycarbonyl-5-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]cyclohexyl]sulfonylbenzoate Traditional Name: 4-[(3S)-3-carbethoxy-5-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]cyclohexyl]sulfonylbenzoic acid ethyl ester Formula: C29H36N2O7S MolecularWeight: 556.67034

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O7S/c1-3-37-28(33)21-5-7-23(8-6-21)39(35,36)24-18-26(29(34)38-4-2)25(27(32)19-24)17-20-11-15-31(16-12-20)22-9-13-30-14-10-22/h5-10,13-14,20,24-26H,3-4,11-12,15-19H2,1-2H3/t24?,25?,26-/m0/s1