methyl 3-(oxidanylcarbamoyl)-4-(5-phenylthiophen-2-yl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: methyl 3-(oxidanylcarbamoyl)-4-(5-phenylthiophen-2-yl)sulfonyl-piperazine-1-carboxylate Openeye Name: methyl 3-(hydroxycarbamoyl)-4-[(5-phenyl-2-thienyl)sulfonyl]piperazine-1-carboxylate CAS Name: 3-[(hydroxyamino)-oxomethyl]-4-[(5-phenyl-2-thiophenyl)sulfonyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(hydroxycarbamoyl)-4-(5-phenylthiophen-2-yl)sulfonylpiperazine-1-carboxylate Traditional Name: 3-(hydroxycarbamoyl)-4-[(5-phenyl-2-thienyl)sulfonyl]piperazine-1-carboxylic acid methyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S2/c1-26-17(22)19-9-10-20(13(11-19)16(21)18-23)28(24,25)15-8-7-14(27-15)12-5-3-2-4-6-12/h2-8,13,23H,9-11H2,1H3,(H,18,21)