[4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[phenyl(2-pyridyl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[[phenyl(2-pyridinyl)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[phenyl(pyridin-2-yl)methyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[phenyl(2-pyridyl)methyl]carbamoyl]phenyl] ester Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O6S/c29-25(27-24(18-7-2-1-3-8-18)23-11-4-5-16-26-23)19-12-14-21(15-13-19)34-35(32,33)22-10-6-9-20(17-22)28(30)31/h1-17,24H,(H,27,29)