2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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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=CC(=C(C=C34)C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C22H23N3O4S2/c1-4-7-25-19-6-5-16(31(23,27)28)11-18(19)24-22(25)30-12-15-10-21(26)29-20-9-14(3)13(2)8-17(15)20/h5-6,8-11H,4,7,12H2,1-3H3,(H2,23,27,28)