[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C20H24N2O6S2 MolecularWeight: 452.54436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O6S2/c1-27-17-6-4-15(5-7-17)13-21-18(23)14-28-20(24)16-8-10-22(11-9-16)30(25,26)19-3-2-12-29-19/h2-7,12,16H,8-11,13-14H2,1H3,(H,21,23)