1-(4-methyl-3-nitro-phenyl)sulfonylazocane

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)sulfonylazocane Openeye Name: 1-(4-methyl-3-nitro-phenyl)sulfonylazocane CAS Name: 1-(4-methyl-3-nitrophenyl)sulfonylazocane IUPAC Name: 1-(4-methyl-3-nitrophenyl)sulfonylazocane Traditional Name: 1-(4-methyl-3-nitro-phenyl)sulfonylazocane Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-12-7-8-13(11-14(12)16(17)18)21(19,20)15-9-5-3-2-4-6-10-15/h7-8,11H,2-6,9-10H2,1H3