N-butyl-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-3H-benzimidazole-5-sulfonamide Formula: C22H22ClN3O4S2 MolecularWeight: 492.01078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C22H22ClN3O4S2/c1-3-4-7-24-32(28,29)15-5-6-18-19(10-15)26-22(25-18)31-12-14-9-21(27)30-20-8-13(2)17(23)11-16(14)20/h5-6,8-11,24H,3-4,7,12H2,1-2H3,(H,25,26)