2-bromanyl-5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid Openeye Name: 5-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-2-bromo-benzoic acid CAS Name: 2-bromo-5-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 5-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]-2-bromobenzoic acid Traditional Name: 5-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-2-bromo-benzoic acid Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C19H18BrN3O4S/c1-22(28(26,27)16-7-8-18(20)17(9-16)19(24)25)11-15-10-21-23(13-15)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,25)