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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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