4-[2-[(1-methylpyrazol-4-yl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(1-methylpyrazol-4-yl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(1-methylpyrazol-4-yl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(1-methyl-4-pyrazolyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(1-methylpyrazol-4-yl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(1-methylpyrazol-4-yl)sulfonylamino]ethyl]benzoic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-16-9-12(8-14-16)21(19,20)15-7-6-10-2-4-11(5-3-10)13(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,17,18)