1-(4-methylphenyl)sulfonyl-3-(2-oxidanylidenepropyl)azepan-2-one

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-(2-oxidanylidenepropyl)azepan-2-one Openeye Name: 3-acetonyl-1-(p-tolylsulfonyl)azepan-2-one CAS Name: 1-(4-methylphenyl)sulfonyl-3-(2-oxopropyl)-2-azepanone IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-(2-oxopropyl)azepan-2-one Traditional Name: 3-acetonyl-1-tosyl-azepan-2-one Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2=O)CC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2=O)CC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-12-6-8-15(9-7-12)22(20,21)17-10-4-3-5-14(16(17)19)11-13(2)18/h6-9,14H,3-5,10-11H2,1-2H3