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

Systemtic Name: 4-bromanyl-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-bromo-benzenesulfonamide CAS Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-bromobenzenesulfonamide IUPAC Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-bromobenzenesulfonamide Traditional Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-bromo-benzenesulfonamide Formula: C20H20BrN2O5S+ MolecularWeight: 480.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2(C3=CC=CC=C3C(=NS(=O)(=O)C4=CC=C(C=C4)Br)C=C2[NH+]1CCO)O

Isomeric SMILES

C1COC2(C3=CC=CC=C3C(=NS(=O)(=O)C4=CC=C(C=C4)Br)C=C2[NH+]1CCO)O

InChI

InChI=1S/C20H19BrN2O5S/c21-14-5-7-15(8-6-14)29(26,27)22-18-13-19-20(25,17-4-2-1-3-16(17)18)28-12-10-23(19)9-11-24/h1-8,13,24-25H,9-12H2/p+1