methyl 5-(phenethylcarbamoyl)-2,4-diphenyl-1-(phenylsulfonyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-(phenethylcarbamoyl)-2,4-diphenyl-1-(phenylsulfonyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-5-(phenethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 1-(benzenesulfonyl)-5-[oxo-(phenethylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-5-(phenethylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate Traditional Name: 1-besyl-5-(phenethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H32N2O5S/c1-40-33(37)29-28(25-16-8-3-9-17-25)31(32(36)34-23-22-24-14-6-2-7-15-24)35(30(29)26-18-10-4-11-19-26)41(38,39)27-20-12-5-13-21-27/h2-21,28-31H,22-23H2,1H3,(H,34,36)