[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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