N-[3-[(2,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-1-pyridin-3-yl-methanesulfonamide

Systemtic Name: N-[3-[(2,5-dimethoxyphenyl)amino]quinoxalin-2-yl]-1-pyridin-3-yl-methanesulfonamide Openeye Name: N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]-1-(3-pyridyl)methanesulfonamide CAS Name: N-[3-(2,5-dimethoxyanilino)-2-quinoxalinyl]-1-(3-pyridinyl)methanesulfonamide IUPAC Name: N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]-1-pyridin-3-ylmethanesulfonamide Traditional Name: N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]-1-(3-pyridyl)methanesulfonamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H21N5O4S/c1-30-16-9-10-20(31-2)19(12-16)26-21-22(25-18-8-4-3-7-17(18)24-21)27-32(28,29)14-15-6-5-11-23-13-15/h3-13H,14H2,1-2H3,(H,24,26)(H,25,27)