[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H24FN3O5S MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H24FN3O5S/c1-17(22(28)26(15-8-14-25)18-9-3-2-4-10-18)32-23(29)20-12-7-16-27(20)33(30,31)21-13-6-5-11-19(21)24/h2-6,9-11,13,17,20H,7-8,12,15-16H2,1H3