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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(4-acetamidoanilino)-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-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C22H23N5O6S2 MolecularWeight: 517.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H23N5O6S2/c1-14(28)23-15-8-10-16(11-9-15)24-20(29)13-33-22(30)18-6-2-3-12-27(18)35(31,32)19-7-4-5-17-21(19)26-34-25-17/h4-5,7-11,18H,2-3,6,12-13H2,1H3,(H,23,28)(H,24,29)