5-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-hydroxy-5-[[4-[(4-methyl-5-thiadiazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-[4-(4-methylthiadiazole-5-carbonyl)piperazino]sulfonyl-benzoic acid Formula: C15H16N4O6S2 MolecularWeight: 412.44074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C15H16N4O6S2/c1-9-13(26-17-16-9)14(21)18-4-6-19(7-5-18)27(24,25)10-2-3-12(20)11(8-10)15(22)23/h2-3,8,20H,4-7H2,1H3,(H,22,23)