4-[1-(4-bromophenyl)-5-[(4-methylphenyl)sulfonylamino]pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[1-(4-bromophenyl)-5-[(4-methylphenyl)sulfonylamino]pyrazol-3-yl]benzoic acid Openeye Name: 4-[1-(4-bromophenyl)-5-(p-tolylsulfonylamino)pyrazol-3-yl]benzoic acid CAS Name: 4-[1-(4-bromophenyl)-5-[(4-methylphenyl)sulfonylamino]-3-pyrazolyl]benzoic acid IUPAC Name: 4-[1-(4-bromophenyl)-5-[(4-methylphenyl)sulfonylamino]pyrazol-3-yl]benzoic acid Traditional Name: 4-[1-(4-bromophenyl)-5-(tosylamino)pyrazol-3-yl]benzoic acid Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18BrN3O4S/c1-15-2-12-20(13-3-15)32(30,31)26-22-14-21(16-4-6-17(7-5-16)23(28)29)25-27(22)19-10-8-18(24)9-11-19/h2-14,26H,1H3,(H,28,29)