[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO5S/c1-2-15-5-7-16(8-6-15)20(24)14-28-21(25)19-4-3-13-23(19)29(26,27)18-11-9-17(22)10-12-18/h5-12,19H,2-4,13-14H2,1H3/t19-/m0/s1