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

Systemtic Name: 4-tert-butyl-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-tert-butyl-benzenesulfonamide CAS Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-tert-butylbenzenesulfonamide Traditional Name: N-[10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-tert-butyl-benzenesulfonamide Formula: C24H29N2O5S+ MolecularWeight: 457.56246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-23(2,3)17-8-10-18(11-9-17)32(29,30)25-21-16-22-24(28,20-7-5-4-6-19(20)21)31-15-13-26(22)12-14-27/h4-11,16,27-28H,12-15H2,1-3H3/p+1