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

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-keto-7-methyl-chromen-4-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S2/c1-3-8-24-18-7-5-15(30(22,26)27)11-17(18)23-21(24)29-12-14-10-20(25)28-19-9-13(2)4-6-16(14)19/h4-7,9-11H,3,8,12H2,1-2H3,(H2,22,26,27)