methyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonyl-pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-1-propylsulfonyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-propylsulfonylpyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-1-propylsulfonyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C30H32BrFN2O6S MolecularWeight: 647.552283

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCCS(=O)(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)OC)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C30H32BrFN2O6S/c1-4-16-41(37,38)34-27(21-12-15-24(39-2)23(31)17-21)26(30(36)40-3)25(20-8-6-5-7-9-20)28(34)29(35)33-18-19-10-13-22(32)14-11-19/h5-15,17,25-28H,4,16,18H2,1-3H3,(H,33,35)