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

Systemtic Name: 3-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-methyl-benzoic acid Formula: C13H14ClN3O4S MolecularWeight: 343.78596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=C(N(N=C2C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=C(N(N=C2C)C)Cl

InChI

InChI=1S/C13H14ClN3O4S/c1-7-4-5-9(13(18)19)6-10(7)16-22(20,21)11-8(2)15-17(3)12(11)14/h4-6,16H,1-3H3,(H,18,19)