1-(5-nitro-2-propan-2-yl-phenyl)sulfonylazepane

Systemtic Name: 1-(5-nitro-2-propan-2-yl-phenyl)sulfonylazepane Openeye Name: 1-(2-isopropyl-5-nitro-phenyl)sulfonylazepane CAS Name: 1-(5-nitro-2-propan-2-ylphenyl)sulfonylazepane IUPAC Name: 1-(5-nitro-2-propan-2-ylphenyl)sulfonylazepane Traditional Name: 1-(2-isopropyl-5-nitro-phenyl)sulfonylazepane Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-12(2)14-8-7-13(17(18)19)11-15(14)22(20,21)16-9-5-3-4-6-10-16/h7-8,11-12H,3-6,9-10H2,1-2H3