1-(2-pentan-2-ylsulfonylphenyl)carbonylazepan-2-one

Systemtic Name: 1-(2-pentan-2-ylsulfonylphenyl)carbonylazepan-2-one Openeye Name: 1-[2-(1-methylbutylsulfonyl)benzoyl]azepan-2-one CAS Name: 1-[oxo-(2-pentan-2-ylsulfonylphenyl)methyl]-2-azepanone IUPAC Name: 1-(2-pentan-2-ylsulfonylbenzoyl)azepan-2-one Traditional Name: 1-[2-(1-methylbutylsulfonyl)benzoyl]azepan-2-one Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N2CCCCCC2=O

Isomeric SMILES

CCCC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N2CCCCCC2=O

InChI

InChI=1S/C18H25NO4S/c1-3-9-14(2)24(22,23)16-11-7-6-10-15(16)18(21)19-13-8-4-5-12-17(19)20/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3