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

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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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(=C4)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H19N3O5S2/c1-2-7-23-17-6-4-14(30(21,26)27)10-16(17)22-20(23)29-11-12-8-19(25)28-18-9-13(24)3-5-15(12)18/h3-6,8-10,24H,2,7,11H2,1H3,(H2,21,26,27)