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

Systemtic Name: N-[(10bS)-4-(2-hydroxyethyl)-10b-oxidanyl-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methyl-benzenesulfonamide Openeye Name: N-[(10bS)-10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methyl-benzenesulfonamide CAS Name: N-[(10bS)-10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methylbenzenesulfonamide IUPAC Name: N-[(10bS)-10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methylbenzenesulfonamide Traditional Name: N-[(10bS)-10b-hydroxy-4-(2-hydroxyethyl)-3,4-dihydro-2H-benzo[h][1,4]benzoxazin-4-ium-6-ylidene]-4-methyl-benzenesulfonamide Formula: C21H23N2O5S+ MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C3C(C4=CC=CC=C42)(OCC[NH+]3CCO)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C2C=C3[C@](C4=CC=CC=C42)(OCC[NH+]3CCO)O

InChI

InChI=1S/C21H22N2O5S/c1-15-6-8-16(9-7-15)29(26,27)22-19-14-20-21(25,18-5-3-2-4-17(18)19)28-13-11-23(20)10-12-24/h2-9,14,24-25H,10-13H2,1H3/p+1/t21-/m0/s1