4-bromanyl-2-(phenylsulfonyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-(phenylsulfonyl)pyrazole-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-bromo-pyrazole-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-bromo-3-pyrazolecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-bromopyrazole-3-carboxylic acid Traditional Name: 2-besyl-4-bromo-pyrazole-3-carboxylic acid Formula: C10H7BrN2O4S MolecularWeight: 331.14258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C10H7BrN2O4S/c11-8-6-12-13(9(8)10(14)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H,14,15)