[(4-fluorophenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [(4-fluorophenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [(4-fluorophenyl)methylsulfonyl-isobutyl-carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[(4-fluorophenyl)methylsulfonyl-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(4-fluorophenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [(4-fluorobenzyl)sulfonyl-isobutyl-carbamoyl] ester Formula: C18H21F2N3O5S MolecularWeight: 429.438246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)S(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CN(C(=O)OC(=O)N1CC(CC1C#N)F)S(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C18H21F2N3O5S/c1-12(2)9-23(29(26,27)11-13-3-5-14(19)6-4-13)18(25)28-17(24)22-10-15(20)7-16(22)8-21/h3-6,12,15-16H,7,9-11H2,1-2H3