[(3-nitrophenyl)sulfonyl-phenyl-amino] 4-chloranylbenzenesulfonate

Systemtic Name: [(3-nitrophenyl)sulfonyl-phenyl-amino] 4-chloranylbenzenesulfonate Openeye Name: (N-(3-nitrophenyl)sulfonylanilino) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (N-(3-nitrophenyl)sulfonylanilino) ester IUPAC Name: (N-(3-nitrophenyl)sulfonylanilino) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (N-(3-nitrophenyl)sulfonylanilino) ester Formula: C18H13ClN2O7S2 MolecularWeight: 468.88802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(OS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(OS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O7S2/c19-14-9-11-17(12-10-14)30(26,27)28-21(15-5-2-1-3-6-15)29(24,25)18-8-4-7-16(13-18)20(22)23/h1-13H