[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H25NO7S/c1-28-20-10-9-16(14-21(20)29-2)19(24)15-30-22(25)17-7-6-8-18(13-17)31(26,27)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12,15H2,1-2H3