methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H24FN3O5S MolecularWeight: 401.452963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24FN3O5S/c1-12(2)15(16(22)26-3)19-17(23)20-8-10-21(11-9-20)27(24,25)14-6-4-13(18)5-7-14/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)/t15-/m0/s1