3,4-dimethyl-5-[[4-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[4-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-[[anilino(oxo)methyl]amino]phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O5S/c1-14-12-16(21(26)27)13-20(15(14)2)31(29,30)25-19-10-8-18(9-11-19)24-22(28)23-17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,27)(H2,23,24,28)