N-[2-methyl-6-oxidanylidene-1-[3-(pyridin-4-ylamino)propyl]pyridin-4-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-methyl-6-oxidanylidene-1-[3-(pyridin-4-ylamino)propyl]pyridin-4-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-methyl-6-oxo-1-[3-(4-pyridylamino)propyl]-4-pyridyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-methyl-6-oxo-1-[3-(pyridin-4-ylamino)propyl]-4-pyridinyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-methyl-6-oxo-1-[3-(pyridin-4-ylamino)propyl]pyridin-4-yl]-1-phenylmethanesulfonamide Traditional Name: N-[2-keto-6-methyl-1-[3-(4-pyridylamino)propyl]-4-pyridyl]-1-phenyl-methanesulfonamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)N1CCCNC2=CC=NC=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=O)N1CCCNC2=CC=NC=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-17-14-20(24-29(27,28)16-18-6-3-2-4-7-18)15-21(26)25(17)13-5-10-23-19-8-11-22-12-9-19/h2-4,6-9,11-12,14-15,24H,5,10,13,16H2,1H3,(H,22,23)