[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H22N2O7S/c1-28-20(25)15-5-2-3-7-18(15)30(26,27)22-11-8-14(9-12-22)19(24)29-13-17(23)16-6-4-10-21-16/h2-7,10,14,21H,8-9,11-13H2,1H3