[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4)C

InChI

InChI=1S/C28H35NO5S/c1-20-15-21(2)18-29(17-20)35(32,33)26-10-6-9-25(16-26)28(31)34-19-27(30)24-13-11-23(12-14-24)22-7-4-3-5-8-22/h6,9-14,16,20-22H,3-5,7-8,15,17-19H2,1-2H3