[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C24H24N2O5S3 MolecularWeight: 516.65276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H24N2O5S3/c27-22(25-20-9-4-5-10-21(20)33-19-7-2-1-3-8-19)17-31-24(28)18-12-14-26(15-13-18)34(29,30)23-11-6-16-32-23/h1-11,16,18H,12-15,17H2,(H,25,27)