4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid Openeye Name: 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid CAS Name: 4-[[(1-methyl-4-pyrazolyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]benzoic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-15-8-11(7-13-15)20(18,19)14-6-9-2-4-10(5-3-9)12(16)17/h2-5,7-8,14H,6H2,1H3,(H,16,17)