[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-piperidinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C21H21N5O6S2 MolecularWeight: 503.55134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H21N5O6S2/c22-20(28)13-7-9-14(10-8-13)23-18(27)12-32-21(29)16-5-1-2-11-26(16)34(30,31)17-6-3-4-15-19(17)25-33-24-15/h3-4,6-10,16H,1-2,5,11-12H2,(H2,22,28)(H,23,27)