3-bromanyl-1-(4-methylphenyl)sulfonyl-azepan-4-one

Systemtic Name: 3-bromanyl-1-(4-methylphenyl)sulfonyl-azepan-4-one Openeye Name: 3-bromo-1-(p-tolylsulfonyl)azepan-4-one CAS Name: 3-bromo-1-(4-methylphenyl)sulfonyl-4-azepanone IUPAC Name: 3-bromo-1-(4-methylphenyl)sulfonylazepan-4-one Traditional Name: 3-bromo-1-tosyl-azepan-4-one Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C(C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C(C2)Br

InChI

InChI=1S/C13H16BrNO3S/c1-10-4-6-11(7-5-10)19(17,18)15-8-2-3-13(16)12(14)9-15/h4-7,12H,2-3,8-9H2,1H3