5-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(4-chlorophenyl)sulfonyl-methylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)sulfonyl-methylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H12ClN3O4S MolecularWeight: 329.75938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3O4S/c1-15-11(10(7-14-15)12(17)18)16(2)21(19,20)9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,17,18)