methyl 2-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-(phenylsulfonyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-(phenylsulfonyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-2-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 1-(benzenesulfonyl)-2-(4-tert-butylphenyl)-5-[[(4-methoxyphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-2-(4-tert-butylphenyl)-5-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 1-besyl-2-(4-tert-butylphenyl)-5-(p-anisylcarbamoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C31H36N2O6S MolecularWeight: 564.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(CC(N2S(=O)(=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(CC(N2S(=O)(=O)C3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C31H36N2O6S/c1-31(2,3)23-15-13-22(14-16-23)28-26(30(35)39-5)19-27(33(28)40(36,37)25-9-7-6-8-10-25)29(34)32-20-21-11-17-24(38-4)18-12-21/h6-18,26-28H,19-20H2,1-5H3,(H,32,34)