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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H21N3O6S2/c20-18(24)13-3-5-15(6-4-13)21-16(23)12-28-19(25)14-7-9-22(10-8-14)30(26,27)17-2-1-11-29-17/h1-6,11,14H,7-10,12H2,(H2,20,24)(H,21,23)