N-[3-(3-oxidanylideneprop-1-ynyl)pyridin-2-yl]-N-[6-[(phenylmethyl)amino]hexyl]methanesulfonamide

Systemtic Name: N-[3-(3-oxidanylideneprop-1-ynyl)pyridin-2-yl]-N-[6-[(phenylmethyl)amino]hexyl]methanesulfonamide Openeye Name: N-[6-(benzylamino)hexyl]-N-[3-(3-oxoprop-1-ynyl)-2-pyridyl]methanesulfonamide CAS Name: N-[3-(3-oxoprop-1-ynyl)-2-pyridinyl]-N-[6-[(phenylmethyl)amino]hexyl]methanesulfonamide IUPAC Name: N-[6-(benzylamino)hexyl]-N-[3-(3-oxoprop-1-ynyl)pyridin-2-yl]methanesulfonamide Traditional Name: N-[6-(benzylamino)hexyl]-N-[3-(3-ketoprop-1-ynyl)-2-pyridyl]methanesulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCCCCNCC1=CC=CC=C1)C2=C(C=CC=N2)C#CC=O

Isomeric SMILES

CS(=O)(=O)N(CCCCCCNCC1=CC=CC=C1)C2=C(C=CC=N2)C#CC=O

InChI

InChI=1S/C22H27N3O3S/c1-29(27,28)25(22-21(14-10-18-26)13-9-16-24-22)17-8-3-2-7-15-23-19-20-11-5-4-6-12-20/h4-6,9,11-13,16,18,23H,2-3,7-8,15,17,19H2,1H3