methyl 2-[(2S)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C13H14ClFN2O5S MolecularWeight: 364.777063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H14ClFN2O5S/c1-22-12(18)7-11-13(19)16-4-5-17(11)23(20,21)8-2-3-10(15)9(14)6-8/h2-3,6,11H,4-5,7H2,1H3,(H,16,19)/t11-/m0/s1