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

Systemtic Name: [methyl-[2-[(4-methylsulfonylphenyl)methylsulfonyl]propyl]carbamoyl] 2-cyano-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: [methyl-[2-[(4-methylsulfonylphenyl)methylsulfonyl]propyl]carbamoyl] 2-cyano-4-fluoro-pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid [[methyl-[2-[(4-methylsulfonylphenyl)methylsulfonyl]propyl]amino]-oxomethyl] ester IUPAC Name: [methyl-[2-[(4-methylsulfonylphenyl)methylsulfonyl]propyl]carbamoyl] 2-cyano-4-fluoropyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-fluoro-pyrrolidine-1-carboxylic acid [2-(4-mesylbenzyl)sulfonylpropyl-methyl-carbamoyl] ester Formula: C19H24FN3O7S2 MolecularWeight: 489.538163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O7S2/c1-13(32(28,29)12-14-4-6-17(7-5-14)31(3,26)27)10-22(2)18(24)30-19(25)23-11-15(20)8-16(23)9-21/h4-7,13,15-16H,8,10-12H2,1-3H3