[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC3=NSN=C32)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4S/c22-15-6-4-13(5-7-15)20(28)26-10-8-14(9-11-26)21(29)30-12-18(27)23-16-2-1-3-17-19(16)25-31-24-17/h1-7,14H,8-12H2,(H,23,27)