1-(2-heptan-4-ylsulfonylphenyl)carbonylazepan-2-one

Systemtic Name: 1-(2-heptan-4-ylsulfonylphenyl)carbonylazepan-2-one Openeye Name: 1-[2-(1-propylbutylsulfonyl)benzoyl]azepan-2-one CAS Name: 1-[(2-heptan-4-ylsulfonylphenyl)-oxomethyl]-2-azepanone IUPAC Name: 1-(2-heptan-4-ylsulfonylbenzoyl)azepan-2-one Traditional Name: 1-[2-(1-propylbutylsulfonyl)benzoyl]azepan-2-one Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4S/c1-3-10-16(11-4-2)26(24,25)18-13-8-7-12-17(18)20(23)21-15-9-5-6-14-19(21)22/h7-8,12-13,16H,3-6,9-11,14-15H2,1-2H3