[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FNO5S/c1-14-9-10-15(2)16(12-14)19(24)13-28-21(25)18-7-5-11-23(18)29(26,27)20-8-4-3-6-17(20)22/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3/t18-/m0/s1