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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-cyanoanilino)-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-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C21H19N5O5S2 MolecularWeight: 485.53606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O5S2/c22-12-14-7-9-15(10-8-14)23-19(27)13-31-21(28)17-5-1-2-11-26(17)33(29,30)18-6-3-4-16-20(18)25-32-24-16/h3-4,6-10,17H,1-2,5,11,13H2,(H,23,27)