2-[[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(6,8-dichloro-4-oxo-quinazolin-3-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(6,8-dichloro-4-oxo-3-quinazolinyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(6,8-dichloro-4-keto-quinazolin-3-yl)methyl]benzimidazole-5-sulfonamide Formula: C20H19Cl2N5O3S MolecularWeight: 480.36756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3C=NC4=C(C=C(C=C4C3=O)Cl)Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3C=NC4=C(C=C(C=C4C3=O)Cl)Cl

InChI

InChI=1S/C20H19Cl2N5O3S/c1-2-3-6-27-17-5-4-13(31(23,29)30)9-16(17)25-18(27)10-26-11-24-19-14(20(26)28)7-12(21)8-15(19)22/h4-5,7-9,11H,2-3,6,10H2,1H3,(H2,23,29,30)