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

Systemtic Name: [(3-methoxyphenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [isobutyl-[(3-methoxyphenyl)methylsulfonyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[(3-methoxyphenyl)methylsulfonyl-(2-methylpropyl)amino]-oxomethyl] ester IUPAC Name: [(3-methoxyphenyl)methylsulfonyl-(2-methylpropyl)carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [isobutyl(m-anisylsulfonyl)carbamoyl] ester Formula: C19H24FN3O6S MolecularWeight: 441.473763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O6S/c1-13(2)10-23(30(26,27)12-14-5-4-6-17(7-14)28-3)19(25)29-18(24)22-11-15(20)8-16(22)9-21/h4-7,13,15-16H,8,10-12H2,1-3H3