[2-(2-dibenzothiophen-3-yloxyethylamino)-1-oxidanyl-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-azanium

Systemtic Name: [2-(2-dibenzothiophen-3-yloxyethylamino)-1-oxidanyl-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-azanium Openeye Name: [2-(2-dibenzothiophen-3-yloxyethylamino)-1-hydroxy-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-ammonium CAS Name: [2-[2-(3-dibenzothiophenyloxy)ethylamino]-1-hydroxyethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethylammonium IUPAC Name: [2-(2-dibenzothiophen-3-yloxyethylamino)-1-hydroxyethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethylazanium Traditional Name: [2-(2-dibenzothiophen-3-yloxyethylamino)-1-hydroxy-ethyl]-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-dimethyl-ammonium Formula: C26H30N3O5S2+ MolecularWeight: 528.6635

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(CNCCOC1=CC2=C(C=C1)C3=CC=CC=C3S2)O)S(=O)(=O)N4CCOC5=CC=CC=C54

Isomeric SMILES

C[N+](C)(C(CNCCOC1=CC2=C(C=C1)C3=CC=CC=C3S2)O)S(=O)(=O)N4CCOC5=CC=CC=C54

InChI

InChI=1S/C26H30N3O5S2/c1-29(2,36(31,32)28-14-16-34-23-9-5-4-8-22(23)28)26(30)18-27-13-15-33-19-11-12-21-20-7-3-6-10-24(20)35-25(21)17-19/h3-12,17,26-27,30H,13-16,18H2,1-2H3/q+1