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

Systemtic Name: N-[4-(2-hydroxyethyl)-10b-oxidanyl-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methoxy-benzenesulfonamide Openeye Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methoxy-benzenesulfonamide CAS Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methoxybenzenesulfonamide IUPAC Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methoxybenzenesulfonamide Traditional Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methoxy-benzenesulfonamide Formula: C21H23N2O6S+ MolecularWeight: 431.48212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N=C2C=C3C(C4=CC=CC=C42)(OCC[NH+]3CCO)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N=C2C=C3C(C4=CC=CC=C42)(OCC[NH+]3CCO)O

InChI

InChI=1S/C21H22N2O6S/c1-28-15-6-8-16(9-7-15)30(26,27)22-19-14-20-21(25,18-5-3-2-4-17(18)19)29-13-11-23(20)10-12-24/h2-9,14,24-25H,10-13H2,1H3/p+1