methyl 4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: methyl 4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(oxidanylcarbamoyl)piperazine-1-carboxylate Openeye Name: methyl 4-[[5-(4-fluorophenyl)-2-thienyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylate CAS Name: 4-[[5-(4-fluorophenyl)-2-thiophenyl]sulfonyl]-3-[(hydroxyamino)-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate Traditional Name: 4-[[5-(4-fluorophenyl)-2-thienyl]sulfonyl]-3-(hydroxycarbamoyl)piperazine-1-carboxylic acid methyl ester Formula: C17H18FN3O6S2 MolecularWeight: 443.469723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN3O6S2/c1-27-17(23)20-8-9-21(13(10-20)16(22)19-24)29(25,26)15-7-6-14(28-15)11-2-4-12(18)5-3-11/h2-7,13,24H,8-10H2,1H3,(H,19,22)