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

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonyl-pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-propylsulfonyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-propylsulfonylpyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorobenzyl)carbamoyl]-1-propylsulfonyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C25H30BrFN2O6S MolecularWeight: 585.482903

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C(CC(C1C2=CC(=C(C=C2)OC)Br)C(=O)OCC)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCS(=O)(=O)N1C(CC(C1C2=CC(=C(C=C2)OC)Br)C(=O)OCC)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H30BrFN2O6S/c1-4-12-36(32,33)29-21(24(30)28-15-16-6-9-18(27)10-7-16)14-19(25(31)35-5-2)23(29)17-8-11-22(34-3)20(26)13-17/h6-11,13,19,21,23H,4-5,12,14-15H2,1-3H3,(H,28,30)