[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C20H24N2O5S2/c1-14-10-15(2)12-17(11-14)21-18(23)13-27-20(24)16-5-7-22(8-6-16)29(25,26)19-4-3-9-28-19/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,21,23)