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

Systemtic Name: 4-methyl-3-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid Openeye Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4-methyl-benzoic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-15-8-9-18(20(24)25)10-19(15)28(26,27)22(2)12-17-11-21-23(14-17)13-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,24,25)