methyl 4-[4-[5-(oxidanylcarbamoyl)piperidin-3-yl]sulfonylpiperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[5-(oxidanylcarbamoyl)piperidin-3-yl]sulfonylpiperazin-1-yl]benzoate Openeye Name: methyl 4-[4-[[5-(hydroxycarbamoyl)-3-piperidyl]sulfonyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[[5-[(hydroxyamino)-oxomethyl]-3-piperidinyl]sulfonyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[5-(hydroxycarbamoyl)piperidin-3-yl]sulfonylpiperazin-1-yl]benzoate Traditional Name: 4-[4-[[5-(hydroxycarbamoyl)-3-piperidyl]sulfonyl]piperazino]benzoic acid methyl ester Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3CC(CNC3)C(=O)NO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3CC(CNC3)C(=O)NO

InChI

InChI=1S/C18H26N4O6S/c1-28-18(24)13-2-4-15(5-3-13)21-6-8-22(9-7-21)29(26,27)16-10-14(11-19-12-16)17(23)20-25/h2-5,14,16,19,25H,6-12H2,1H3,(H,20,23)