[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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