methyl (2S)-4-(3-fluorophenyl)carbonyl-1-(phenylsulfonyl)piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(3-fluorophenyl)carbonyl-1-(phenylsulfonyl)piperazine-2-carboxylate Openeye Name: methyl (2S)-1-(benzenesulfonyl)-4-(3-fluorobenzoyl)piperazine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-4-[(3-fluorophenyl)-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(benzenesulfonyl)-4-(3-fluorobenzoyl)piperazine-2-carboxylate Traditional Name: (2S)-1-besyl-4-(3-fluorobenzoyl)piperazine-2-carboxylic acid methyl ester Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H19FN2O5S/c1-27-19(24)17-13-21(18(23)14-6-5-7-15(20)12-14)10-11-22(17)28(25,26)16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3/t17-/m0/s1