methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-5-[oxo(propylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate Traditional Name: 1-brosyl-2,4-diphenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C28H29BrN2O5S MolecularWeight: 585.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1C(C(C(N1S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1C(C(C(N1S(=O)(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H29BrN2O5S/c1-3-18-30-27(32)26-23(19-10-6-4-7-11-19)24(28(33)36-2)25(20-12-8-5-9-13-20)31(26)37(34,35)22-16-14-21(29)15-17-22/h4-17,23-26H,3,18H2,1-2H3,(H,30,32)