N-[3-[[5-methoxy-2-(oxan-4-ylmethyl)phenyl]amino]quinoxalin-2-yl]methanesulfonamide

Systemtic Name: N-[3-[[5-methoxy-2-(oxan-4-ylmethyl)phenyl]amino]quinoxalin-2-yl]methanesulfonamide Openeye Name: N-[3-[5-methoxy-2-(tetrahydropyran-4-ylmethyl)anilino]quinoxalin-2-yl]methanesulfonamide CAS Name: N-[3-[5-methoxy-2-(4-oxanylmethyl)anilino]-2-quinoxalinyl]methanesulfonamide IUPAC Name: N-[3-[5-methoxy-2-(oxan-4-ylmethyl)anilino]quinoxalin-2-yl]methanesulfonamide Traditional Name: N-[3-[5-methoxy-2-(tetrahydropyran-4-ylmethyl)anilino]quinoxalin-2-yl]methanesulfonamide Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC2CCOCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)CC2CCOCC2)NC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C

InChI

InChI=1S/C22H26N4O4S/c1-29-17-8-7-16(13-15-9-11-30-12-10-15)20(14-17)25-21-22(26-31(2,27)28)24-19-6-4-3-5-18(19)23-21/h3-8,14-15H,9-13H2,1-2H3,(H,23,25)(H,24,26)