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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-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-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H22N4O5S3 MolecularWeight: 506.61818

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H22N4O5S3/c1-31-17-10-3-2-7-14(17)22-19(26)13-30-21(27)16-9-4-5-12-25(16)33(28,29)18-11-6-8-15-20(18)24-32-23-15/h2-3,6-8,10-11,16H,4-5,9,12-13H2,1H3,(H,22,26)