4-ethoxy-N-[4-(2-hydroxyethyl)-10b-oxidanyl-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[4-(2-hydroxyethyl)-10b-oxidanyl-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]benzenesulfonamide Openeye Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-ethoxy-benzenesulfonamide CAS Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-ethoxybenzenesulfonamide IUPAC Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-ethoxybenzenesulfonamide Traditional Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-ethoxy-benzenesulfonamide Formula: C22H25N2O6S+ MolecularWeight: 445.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N=C2C=C3C(C4=CC=CC=C42)(OCC[NH+]3CCO)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N=C2C=C3C(C4=CC=CC=C42)(OCC[NH+]3CCO)O

InChI

InChI=1S/C22H24N2O6S/c1-2-29-16-7-9-17(10-8-16)31(27,28)23-20-15-21-22(26,19-6-4-3-5-18(19)20)30-14-12-24(21)11-13-25/h3-10,15,25-26H,2,11-14H2,1H3/p+1