[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-methylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-methylsulfonyl-2-pyrrolidinecarboxylic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesylpyrrolidine-2-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H21FN2O5S MolecularWeight: 372.411743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2CCCN2S(=O)(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2CCCN2S(=O)(=O)C)F

InChI

InChI=1S/C16H21FN2O5S/c1-10-6-7-12(9-13(10)17)18-15(20)11(2)24-16(21)14-5-4-8-19(14)25(3,22)23/h6-7,9,11,14H,4-5,8H2,1-3H3,(H,18,20)