5-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(2-bromanyl-4-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(2-bromo-4-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2-bromo-4-methylphenyl)sulfonylamino]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(2-bromo-4-methylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[(2-bromo-4-methyl-phenyl)sulfonylamino]-1-methyl-pyrazole-4-carboxylic acid Formula: C12H12BrN3O4S MolecularWeight: 374.21038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=NN2C)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=NN2C)C(=O)O)Br

InChI

InChI=1S/C12H12BrN3O4S/c1-7-3-4-10(9(13)5-7)21(19,20)15-11-8(12(17)18)6-14-16(11)2/h3-6,15H,1-2H3,(H,17,18)