[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H23ClN2O7S/c1-29-16-10-15(11-17(12-16)30-2)23-20(25)13-31-21(26)19-4-3-9-24(19)32(27,28)18-7-5-14(22)6-8-18/h5-8,10-12,19H,3-4,9,13H2,1-2H3,(H,23,25)