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

Systemtic Name: 5-[(4-chlorophenyl)sulfonyl-ethyl-amino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)sulfonyl-ethyl-amino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(4-chlorophenyl)sulfonyl-ethylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)sulfonyl-ethylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(4-chlorophenyl)sulfonyl-ethyl-amino]-1-methyl-pyrazole-4-carboxylic acid Formula: C13H14ClN3O4S MolecularWeight: 343.78596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=NN1C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(C1=C(C=NN1C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O4S/c1-3-17(12-11(13(18)19)8-15-16(12)2)22(20,21)10-6-4-9(14)5-7-10/h4-8H,3H2,1-2H3,(H,18,19)