[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C21H23FN2O5S/c1-14-9-10-17(15(2)12-14)23-20(25)13-29-21(26)18-7-5-11-24(18)30(27,28)19-8-4-3-6-16(19)22/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3,(H,23,25)