[methyl-[2-[(4-methylphenyl)methylsulfonyl]propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: [methyl-[2-[(4-methylphenyl)methylsulfonyl]propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl-[2-(p-tolylmethylsulfonyl)propyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-[(4-methylphenyl)methylsulfonyl]propyl]amino]-oxomethyl] ester IUPAC Name: [methyl-[2-[(4-methylphenyl)methylsulfonyl]propyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [methyl-[2-(4-methylbenzyl)sulfonylpropyl]carbamoyl] ester Formula: C19H24FN3O5S MolecularWeight: 425.474363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C(C)CN(C)C(=O)OC(=O)N2CC(CC2C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C(C)CN(C)C(=O)OC(=O)N2CC(CC2C#N)F

InChI

InChI=1S/C19H24FN3O5S/c1-13-4-6-15(7-5-13)12-29(26,27)14(2)10-22(3)18(24)28-19(25)23-11-16(20)8-17(23)9-21/h4-7,14,16-17H,8,10-12H2,1-3H3