1-propyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-propyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 1-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-propyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]benzimidazole-5-sulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-2-11-26-20-10-9-18(31(23,28)29)14-19(20)24-22(26)30-15-16-5-7-17(8-6-16)21(27)25-12-3-4-13-25/h5-10,14H,2-4,11-13,15H2,1H3,(H2,23,28,29)