[4-(1-pyridin-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(1-pyridin-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[1-(2-pyridyl)ethylcarbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[1-(2-pyridinyl)ethylamino]methyl]phenyl] ester IUPAC Name: [4-(1-pyridin-2-ylethylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[1-(2-pyridyl)ethylcarbamoyl]phenyl] ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6S/c1-14(19-7-2-3-12-21-19)22-20(24)15-8-10-17(11-9-15)29-30(27,28)18-6-4-5-16(13-18)23(25)26/h2-14H,1H3,(H,22,24)