4-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-methyl-5-(methylsulfonylamino)pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-(methanesulfonamido)-3-methyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(methanesulfonamido)-3-methylpyrazol-1-yl]benzoic acid Traditional Name: 4-[5-(methanesulfonamido)-3-methyl-pyrazol-1-yl]benzoic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)NS(=O)(=O)C)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-8-7-11(14-20(2,18)19)15(13-8)10-5-3-9(4-6-10)12(16)17/h3-7,14H,1-2H3,(H,16,17)