1-(3-nitro-4-pyridin-3-yloxy-phenyl)sulfonylazepane

Systemtic Name: 1-(3-nitro-4-pyridin-3-yloxy-phenyl)sulfonylazepane Openeye Name: 1-[3-nitro-4-(3-pyridyloxy)phenyl]sulfonylazepane CAS Name: 1-[3-nitro-4-(3-pyridinyloxy)phenyl]sulfonylazepane IUPAC Name: 1-(3-nitro-4-pyridin-3-yloxyphenyl)sulfonylazepane Traditional Name: 1-[3-nitro-4-(3-pyridyloxy)phenyl]sulfonylazepane Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c21-20(22)16-12-15(26(23,24)19-10-3-1-2-4-11-19)7-8-17(16)25-14-6-5-9-18-13-14/h5-9,12-13H,1-4,10-11H2