1-(5-nitronaphthalen-1-yl)sulfonylazepane

Systemtic Name: 1-(5-nitronaphthalen-1-yl)sulfonylazepane Openeye Name: 1-[(5-nitro-1-naphthyl)sulfonyl]azepane CAS Name: 1-[(5-nitro-1-naphthalenyl)sulfonyl]azepane IUPAC Name: 1-(5-nitronaphthalen-1-yl)sulfonylazepane Traditional Name: 1-[(5-nitro-1-naphthyl)sulfonyl]azepane Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c19-18(20)15-9-5-8-14-13(15)7-6-10-16(14)23(21,22)17-11-3-1-2-4-12-17/h5-10H,1-4,11-12H2