methyl 2-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonyl-pyrrolidine-3-carboxylate CAS Name: 2-(3-chlorophenyl)-5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-methylsulfonyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-methylsulfonylpyrrolidine-3-carboxylate Traditional Name: 2-(3-chlorophenyl)-1-mesyl-5-(p-anisylcarbamoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C)C3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C)C3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-30-17-9-7-14(8-10-17)13-24-21(26)19-12-18(22(27)31-2)20(25(19)32(3,28)29)15-5-4-6-16(23)11-15/h4-11,18-20H,12-13H2,1-3H3,(H,24,26)