2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-5-methyl-benzoic acid Openeye Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-5-methyl-benzoic acid CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-5-methylbenzoic acid IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-5-methylbenzoic acid Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-5-methyl-benzoic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(NN=C2C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(NN=C2C)C)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-7-4-5-11(10(6-7)13(17)18)16-21(19,20)12-8(2)14-15-9(12)3/h4-6,16H,1-3H3,(H,14,15)(H,17,18)