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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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