1-butyl-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H22N4O5S2/c1-2-3-8-25-17-6-5-14(32(22,28)29)10-15(17)24-21(25)31-12-18(26)13-4-7-19-16(9-13)23-20(27)11-30-19/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,23,27)(H2,22,28,29)