[4-(pyridin-3-ylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(pyridin-3-ylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3-pyridylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(3-pyridinylmethylamino)methyl]phenyl] ester IUPAC Name: [4-(pyridin-3-ylmethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3-pyridylmethylcarbamoyl)phenyl] ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6S/c23-19(21-13-14-3-2-10-20-12-14)15-6-8-17(9-7-15)28-29(26,27)18-5-1-4-16(11-18)22(24)25/h1-12H,13H2,(H,21,23)