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

Systemtic Name: methyl (2S)-4-(3-fluorophenyl)carbonyl-1-methylsulfonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(3-fluorobenzoyl)-1-methylsulfonyl-piperazine-2-carboxylate CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-1-methylsulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(3-fluorobenzoyl)-1-methylsulfonylpiperazine-2-carboxylate Traditional Name: (2S)-4-(3-fluorobenzoyl)-1-mesyl-piperazine-2-carboxylic acid methyl ester Formula: C14H17FN2O5S MolecularWeight: 344.358583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17FN2O5S/c1-22-14(19)12-9-16(6-7-17(12)23(2,20)21)13(18)10-4-3-5-11(15)8-10/h3-5,8,12H,6-7,9H2,1-2H3/t12-/m0/s1