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

Systemtic Name: methyl 1-(4-bromophenyl)sulfonyl-5-(oxolan-2-ylmethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(4-bromophenyl)sulfonyl-2,4-diphenyl-5-(tetrahydrofuran-2-ylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-5-[oxo-(2-oxolanylmethylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)sulfonyl-5-(oxolan-2-ylmethylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate Traditional Name: 1-brosyl-2,4-diphenyl-5-(tetrahydrofurfurylcarbamoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C30H31BrN2O6S MolecularWeight: 627.54594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)NCC4CCCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)NCC4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C30H31BrN2O6S/c1-38-30(35)26-25(20-9-4-2-5-10-20)28(29(34)32-19-23-13-8-18-39-23)33(27(26)21-11-6-3-7-12-21)40(36,37)24-16-14-22(31)15-17-24/h2-7,9-12,14-17,23,25-28H,8,13,18-19H2,1H3,(H,32,34)