[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-methylpiperidino)sulfonylbenzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27NO7S/c1-16-9-11-24(12-10-16)32(27,28)19-6-4-5-18(13-19)23(26)31-15-20(25)17-7-8-21(29-2)22(14-17)30-3/h4-8,13-14,16H,9-12,15H2,1-3H3