N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]octanamide

Systemtic Name: N-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]octanamide Openeye Name: N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]octanamide CAS Name: N-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]octanamide IUPAC Name: N-[3-(3-oxopiperazin-1-yl)sulfonylphenyl]octanamide Traditional Name: N-[3-(3-ketopiperazino)sulfonylphenyl]caprylamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C18H27N3O4S/c1-2-3-4-5-6-10-17(22)20-15-8-7-9-16(13-15)26(24,25)21-12-11-19-18(23)14-21/h7-9,13H,2-6,10-12,14H2,1H3,(H,19,23)(H,20,22)