3-azanyl-4-[(2,4-dimethylphenyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 3-azanyl-4-[(2,4-dimethylphenyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-amino-4-(2,4-dimethylanilino)-5-sulfamoyl-benzoic acid CAS Name: 3-amino-4-(2,4-dimethylanilino)-5-sulfamoylbenzoic acid IUPAC Name: 3-amino-4-(2,4-dimethylanilino)-5-sulfamoylbenzoic acid Traditional Name: 3-amino-4-(2,4-dimethylanilino)-5-sulfamoyl-benzoic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N)C

InChI

InChI=1S/C15H17N3O4S/c1-8-3-4-12(9(2)5-8)18-14-11(16)6-10(15(19)20)7-13(14)23(17,21)22/h3-7,18H,16H2,1-2H3,(H,19,20)(H2,17,21,22)