4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H27N3O5S2/c1-2-26-20-6-5-18(33(27,28)25-8-12-29-13-9-25)15-19(20)24-23(26)16-32-17-4-7-21-22(14-17)31-11-3-10-30-21/h4-7,14-15H,2-3,8-13,16H2,1H3