sodium 5-[[2-nitro-4-(phenylsulfamoyl)phenyl]amino]-2-phenylazanyl-benzenesulfonate

Systemtic Name: sodium 5-[[2-nitro-4-(phenylsulfamoyl)phenyl]amino]-2-phenylazanyl-benzenesulfonate Openeye Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate CAS Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate IUPAC Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonate Traditional Name: sodium 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]besylate Formula: C24H19N4NaO7S2 MolecularWeight: 562.55003

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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)NC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H20N4O7S2.Na/c29-28(30)23-16-20(36(31,32)27-18-9-5-2-6-10-18)12-14-21(23)26-19-11-13-22(24(15-19)37(33,34)35)25-17-7-3-1-4-8-17;/h1-16,25-27H,(H,33,34,35);/q;+1/p-1