1-[1-(4-nitrophenyl)sulfonylpropan-2-yl]azepane

Systemtic Name: 1-[1-(4-nitrophenyl)sulfonylpropan-2-yl]azepane Openeye Name: 1-[1-methyl-2-(4-nitrophenyl)sulfonyl-ethyl]azepane CAS Name: 1-[1-(4-nitrophenyl)sulfonylpropan-2-yl]azepane IUPAC Name: 1-[1-(4-nitrophenyl)sulfonylpropan-2-yl]azepane Traditional Name: 1-(1-methyl-2-nosyl-ethyl)azepane Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C15H22N2O4S/c1-13(16-10-4-2-3-5-11-16)12-22(20,21)15-8-6-14(7-9-15)17(18)19/h6-9,13H,2-5,10-12H2,1H3