3,4-dimethyl-5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid Openeye Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3,4-dimethyl-5-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O4S/c1-15-9-19(21(25)26)10-20(16(15)2)29(27,28)23(3)12-18-11-22-24(14-18)13-17-7-5-4-6-8-17/h4-11,14H,12-13H2,1-3H3,(H,25,26)