N-[2-oxidanylidene-2-[2-(phenoxysulfinylamino)propylamino]ethyl]-5-(pyridin-2-ylamino)pentanamide

Systemtic Name: N-[2-oxidanylidene-2-[2-(phenoxysulfinylamino)propylamino]ethyl]-5-(pyridin-2-ylamino)pentanamide Openeye Name: N-[2-oxo-2-[2-(phenoxysulfinylamino)propylamino]ethyl]-5-(2-pyridylamino)pentanamide CAS Name: N-[2-oxo-2-[2-(phenoxysulfinylamino)propylamino]ethyl]-5-(2-pyridinylamino)pentanamide IUPAC Name: N-[2-oxo-2-[2-(phenoxysulfinylamino)propylamino]ethyl]-5-(pyridin-2-ylamino)pentanamide Traditional Name: N-[2-keto-2-[2-(phenoxysulfinylamino)propylamino]ethyl]-5-(2-pyridylamino)valeramide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CNC(=O)CCCCNC1=CC=CC=N1)NS(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)CNC(=O)CCCCNC1=CC=CC=N1)NS(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H29N5O4S/c1-17(26-31(29)30-18-9-3-2-4-10-18)15-24-21(28)16-25-20(27)12-6-8-14-23-19-11-5-7-13-22-19/h2-5,7,9-11,13,17,26H,6,8,12,14-16H2,1H3,(H,22,23)(H,24,28)(H,25,27)