1-butyl-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(7-methoxy-2-oxo-chromen-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(7-methoxy-2-oxochromen-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-keto-7-methoxy-chromen-4-yl)methylthio]benzimidazole-5-sulfonamide Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H23N3O5S2/c1-3-4-9-25-19-8-6-16(32(23,27)28)12-18(19)24-22(25)31-13-14-10-21(26)30-20-11-15(29-2)5-7-17(14)20/h5-8,10-12H,3-4,9,13H2,1-2H3,(H2,23,27,28)