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

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-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-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C22H24N4O6S2/c1-31-16-10-8-15(9-11-16)13-23-20(27)14-32-22(28)18-6-2-3-12-26(18)34(29,30)19-7-4-5-17-21(19)25-33-24-17/h4-5,7-11,18H,2-3,6,12-14H2,1H3,(H,23,27)