4-chloranyl-3-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid Openeye Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]-4-chlorobenzoic acid Traditional Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4-chloro-benzoic acid Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4S/c1-22(28(26,27)18-9-16(19(24)25)7-8-17(18)20)11-15-10-21-23(13-15)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,24,25)