5-[(2-nitro-4-sulfamoyl-phenyl)amino]-2-phenylazanyl-benzenesulfonic acid

Systemtic Name: 5-[(2-nitro-4-sulfamoyl-phenyl)amino]-2-phenylazanyl-benzenesulfonic acid Openeye Name: 2-anilino-5-(2-nitro-4-sulfamoyl-anilino)benzenesulfonic acid CAS Name: 2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid IUPAC Name: 2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid Traditional Name: 2-anilino-5-(2-nitro-4-sulfamoyl-anilino)besylic acid Formula: C18H16N4O7S2 MolecularWeight: 464.47224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H16N4O7S2/c19-30(25,26)14-7-9-15(17(11-14)22(23)24)21-13-6-8-16(18(10-13)31(27,28)29)20-12-4-2-1-3-5-12/h1-11,20-21H,(H2,19,25,26)(H,27,28,29)