[phenyl(phenylsulfonyl)amino] 4-nitrobenzenesulfonate

Systemtic Name: [phenyl(phenylsulfonyl)amino] 4-nitrobenzenesulfonate Openeye Name: [N-(benzenesulfonyl)anilino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [N-(benzenesulfonyl)anilino] ester IUPAC Name: [N-(benzenesulfonyl)anilino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (N-besylanilino) ester Formula: C18H14N2O7S2 MolecularWeight: 434.44296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7S2/c21-19(22)15-11-13-18(14-12-15)29(25,26)27-20(16-7-3-1-4-8-16)28(23,24)17-9-5-2-6-10-17/h1-14H