[4-[(2-methoxypyridin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-methoxypyridin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-methoxy-3-pyridyl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(2-methoxy-3-pyridinyl)methylamino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methoxypyridin-3-yl)methylcarbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-methoxy-3-pyridyl)methylcarbamoyl]phenyl] ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S/c1-29-20-15(4-3-11-21-20)13-22-19(24)14-7-9-17(10-8-14)30-31(27,28)18-6-2-5-16(12-18)23(25)26/h2-12H,13H2,1H3,(H,22,24)