1-(4-methylphenyl)sulfonyl-5-oxidanyl-azepan-4-one

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-oxidanyl-azepan-4-one Openeye Name: 5-hydroxy-1-(p-tolylsulfonyl)azepan-4-one CAS Name: 5-hydroxy-1-(4-methylphenyl)sulfonyl-4-azepanone IUPAC Name: 5-hydroxy-1-(4-methylphenyl)sulfonylazepan-4-one Traditional Name: 5-hydroxy-1-tosyl-azepan-4-one Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)CC2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)CC2)O

InChI

InChI=1S/C13H17NO4S/c1-10-2-4-11(5-3-10)19(17,18)14-8-6-12(15)13(16)7-9-14/h2-5,12,15H,6-9H2,1H3