methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H24FN3O5S2 MolecularWeight: 433.517963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O5S2/c1-26-16(22)15(7-12-27-2)19-17(23)20-8-10-21(11-9-20)28(24,25)14-5-3-13(18)4-6-14/h3-6,15H,7-12H2,1-2H3,(H,19,23)/t15-/m0/s1