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

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C25H31NO8S MolecularWeight: 505.58054

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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)OC)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO8S/c1-16-9-17(2)14-26(13-16)35(29,30)20-8-6-7-18(10-20)25(28)34-15-21(27)19-11-22(31-3)24(33-5)23(12-19)32-4/h6-8,10-12,16-17H,9,13-15H2,1-5H3