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

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpropan-2-yl]azepane Openeye Name: 1-[1-methyl-2-(p-tolylsulfonyl)ethyl]azepane CAS Name: 1-[1-(4-methylphenyl)sulfonylpropan-2-yl]azepane IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpropan-2-yl]azepane Traditional Name: 1-(1-methyl-2-tosyl-ethyl)azepane Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(C)N2CCCCCC2

InChI

InChI=1S/C16H25NO2S/c1-14-7-9-16(10-8-14)20(18,19)13-15(2)17-11-5-3-4-6-12-17/h7-10,15H,3-6,11-13H2,1-2H3