methyl 1-(4-chlorophenyl)sulfonyl-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)sulfonyl-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)sulfonyl-2-(4-cyanophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-(4-cyanophenyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)sulfonyl-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonyl-2-(4-cyanophenyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C28H26ClN3O5S MolecularWeight: 552.04114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C28H26ClN3O5S/c1-18-3-5-20(6-4-18)17-31-27(33)25-15-24(28(34)37-2)26(21-9-7-19(16-30)8-10-21)32(25)38(35,36)23-13-11-22(29)12-14-23/h3-14,24-26H,15,17H2,1-2H3,(H,31,33)