4-[(4-azanyl-2,3-dimethyl-phenyl)-[(4-azanyl-2,3-dimethyl-phenyl)carbamoyl]amino]benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-2,3-dimethyl-phenyl)-[(4-azanyl-2,3-dimethyl-phenyl)carbamoyl]amino]benzenesulfonic acid Openeye Name: 4-[4-amino-N-[(4-amino-2,3-dimethyl-phenyl)carbamoyl]-2,3-dimethyl-anilino]benzenesulfonic acid CAS Name: 4-(4-amino-N-[(4-amino-2,3-dimethylanilino)-oxomethyl]-2,3-dimethylanilino)benzenesulfonic acid IUPAC Name: 4-[4-amino-N-[(4-amino-2,3-dimethylphenyl)carbamoyl]-2,3-dimethylanilino]benzenesulfonic acid Traditional Name: 4-[4-amino-N-[(4-amino-2,3-dimethyl-phenyl)carbamoyl]-2,3-dimethyl-anilino]besylic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)NC(=O)N(C2=CC=C(C=C2)S(=O)(=O)O)C3=C(C(=C(C=C3)N)C)C)N

Isomeric SMILES

CC1=C(C=CC(=C1C)NC(=O)N(C2=CC=C(C=C2)S(=O)(=O)O)C3=C(C(=C(C=C3)N)C)C)N

InChI

InChI=1S/C23H26N4O4S/c1-13-15(3)21(11-9-19(13)24)26-23(28)27(22-12-10-20(25)14(2)16(22)4)17-5-7-18(8-6-17)32(29,30)31/h5-12H,24-25H2,1-4H3,(H,26,28)(H,29,30,31)