3-hexyl-1-(4-methylphenyl)sulfonyl-azepane

Systemtic Name: 3-hexyl-1-(4-methylphenyl)sulfonyl-azepane Openeye Name: 3-hexyl-1-(p-tolylsulfonyl)azepane CAS Name: 3-hexyl-1-(4-methylphenyl)sulfonylazepane IUPAC Name: 3-hexyl-1-(4-methylphenyl)sulfonylazepane Traditional Name: 3-hexyl-1-tosyl-azepane Formula: C19H31NO2S MolecularWeight: 337.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCC1CCCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H31NO2S/c1-3-4-5-6-9-18-10-7-8-15-20(16-18)23(21,22)19-13-11-17(2)12-14-19/h11-14,18H,3-10,15-16H2,1-2H3