1-(2-methyl-5-nitro-phenyl)sulfonylazepane

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonylazepane Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonylazepane CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonylazepane IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonylazepane Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylazepane Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C13H18N2O4S/c1-11-6-7-12(15(16)17)10-13(11)20(18,19)14-8-4-2-3-5-9-14/h6-7,10H,2-5,8-9H2,1H3