[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C21H25N3O7S/c1-29-16-5-6-18(19(12-16)30-2)23-20(25)14-31-21(26)15-7-10-24(11-8-15)32(27,28)17-4-3-9-22-13-17/h3-6,9,12-13,15H,7-8,10-11,14H2,1-2H3,(H,23,25)