4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]methyl]benzoic acid CAS Name: 4-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]methyl]benzoic acid IUPAC Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]methyl]benzoic acid Traditional Name: 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]methyl]benzoic acid Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H20N4O4S/c1-13-11-14(2)23-20(22-13)24-29(27,28)18-9-7-17(8-10-18)21-12-15-3-5-16(6-4-15)19(25)26/h3-11,21H,12H2,1-2H3,(H,25,26)(H,22,23,24)