N-butyl-1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-methyl-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-methyl-benzimidazole-5-sulfonamide Openeye Name: N-butyl-1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-methyl-benzimidazole-5-sulfonamide CAS Name: N-butyl-1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylthio]-N-methyl-5-benzimidazolesulfonamide IUPAC Name: N-butyl-1-cyclopentyl-2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-methylbenzimidazole-5-sulfonamide Traditional Name: N-butyl-1-cyclopentyl-N-methyl-2-(o-veratrylthio)benzimidazole-5-sulfonamide Formula: C26H35N3O4S2 MolecularWeight: 517.7038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC=C3)OC)OC)C4CCCC4

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC=C3)OC)OC)C4CCCC4

InChI

InChI=1S/C26H35N3O4S2/c1-5-6-16-28(2)35(30,31)21-14-15-23-22(17-21)27-26(29(23)20-11-7-8-12-20)34-18-19-10-9-13-24(32-3)25(19)33-4/h9-10,13-15,17,20H,5-8,11-12,16,18H2,1-4H3