2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C21H21N3O5S2/c1-3-8-24-17-6-4-14(31(22,27)28)10-16(17)23-21(24)30-11-13-9-19(26)29-20-12(2)18(25)7-5-15(13)20/h4-7,9-10,25H,3,8,11H2,1-2H3,(H2,22,27,28)