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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)O

InChI

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