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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C24H29NO7S MolecularWeight: 475.55456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C24H29NO7S/c1-30-22-12-9-19(16-23(22)31-2)21(26)17-32-24(27)13-8-18-6-10-20(11-7-18)33(28,29)25-14-4-3-5-15-25/h6-7,9-12,16H,3-5,8,13-15,17H2,1-2H3