2-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(4-cyanophenoxy)-2-hydroxy-propyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(4-cyanophenoxy)-2-hydroxypropyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[3-(4-cyanophenoxy)-2-hydroxy-propyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H22N4O4S2/c1-2-9-24-19-8-7-17(30(22,26)27)10-18(19)23-20(24)29-13-15(25)12-28-16-5-3-14(11-21)4-6-16/h3-8,10,15,25H,2,9,12-13H2,1H3,(H2,22,26,27)