4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylthio)-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-(piperonylthio)benzimidazol-5-yl]sulfonylmorpholine Formula: C21H23N3O5S2 MolecularWeight: 461.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H23N3O5S2/c1-2-24-18-5-4-16(31(25,26)23-7-9-27-10-8-23)12-17(18)22-21(24)30-13-15-3-6-19-20(11-15)29-14-28-19/h3-6,11-12H,2,7-10,13-14H2,1H3