1-(1,3-benzodioxol-5-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O6S2/c1-2-25-18-5-4-16(33(27,28)24-7-9-29-10-8-24)12-17(18)23-22(25)32-13-19(26)15-3-6-20-21(11-15)31-14-30-20/h3-6,11-12H,2,7-10,13-14H2,1H3