[(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl] 4-nitrobenzoate

Systemtic Name: [(E)-C-phenyl-N-(phenylsulfonyl)carbonimidoyl] 4-nitrobenzoate Openeye Name: [(E)-N-(benzenesulfonyl)-C-phenyl-carbonimidoyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-benzenesulfonylimino(phenyl)methyl] ester IUPAC Name: [(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-N-besyl-C-phenyl-carbonimidoyl] ester Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O6S/c23-20(16-11-13-17(14-12-16)22(24)25)28-19(15-7-3-1-4-8-15)21-29(26,27)18-9-5-2-6-10-18/h1-14H/b21-19+