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

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-2-carboxylate Traditional Name: 1-piazthiol-4-ylsulfonylpipecolinic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7S2/c1-30-14-9-10-15(19(12-14)31-2)18(26)13-32-22(27)17-7-3-4-11-25(17)34(28,29)20-8-5-6-16-21(20)24-33-23-16/h5-6,8-10,12,17H,3-4,7,11,13H2,1-2H3