N-[3-[[2-(2-hydroxyethyl)-5-methoxy-phenyl]amino]quinoxalin-2-yl]-6-methyl-1-oxidanidyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-[3-[[2-(2-hydroxyethyl)-5-methoxy-phenyl]amino]quinoxalin-2-yl]-6-methyl-1-oxidanidyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-[3-[2-(2-hydroxyethyl)-5-methoxy-anilino]quinoxalin-2-yl]-6-methyl-1-oxido-pyridin-1-ium-3-sulfonamide CAS Name: N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]-2-quinoxalinyl]-6-methyl-1-oxido-3-pyridin-1-iumsulfonamide IUPAC Name: N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]-6-methyl-1-oxidopyridin-1-ium-3-sulfonamide Traditional Name: N-[3-[2-(2-hydroxyethyl)-5-methoxy-anilino]quinoxalin-2-yl]-6-methyl-1-oxido-pyridin-1-ium-3-sulfonamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)CCO)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)CCO)[O-]

InChI

InChI=1S/C23H23N5O5S/c1-15-7-10-18(14-28(15)30)34(31,32)27-23-22(24-19-5-3-4-6-20(19)25-23)26-21-13-17(33-2)9-8-16(21)11-12-29/h3-10,13-14,29H,11-12H2,1-2H3,(H,24,26)(H,25,27)