5-azanyl-1-(3-chloranyl-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-(3-chloranyl-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylic acid Openeye Name: 5-amino-1-(3-chloro-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylic acid CAS Name: 5-amino-1-(3-chloro-2-methylphenyl)sulfonyl-4-pyrazolecarboxylic acid IUPAC Name: 5-amino-1-(3-chloro-2-methylphenyl)sulfonylpyrazole-4-carboxylic acid Traditional Name: 5-amino-1-(3-chloro-2-methyl-phenyl)sulfonyl-pyrazole-4-carboxylic acid Formula: C11H10ClN3O4S MolecularWeight: 315.7328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)N2C(=C(C=N2)C(=O)O)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)N2C(=C(C=N2)C(=O)O)N

InChI

InChI=1S/C11H10ClN3O4S/c1-6-8(12)3-2-4-9(6)20(18,19)15-10(13)7(5-14-15)11(16)17/h2-5H,13H2,1H3,(H,16,17)