5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3-diethyl-benzimidazol-2-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3-diethyl-benzimidazol-2-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3-diethyl-benzimidazol-2-one CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-1,3-diethyl-2-benzimidazolone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,3-diethylbenzimidazol-2-one Traditional Name: 1,3-diethyl-5-(4-piperonylpiperazino)sulfonyl-benzimidazol-2-one Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N(C1=O)CC

InChI

InChI=1S/C23H28N4O5S/c1-3-26-19-7-6-18(14-20(19)27(4-2)23(26)28)33(29,30)25-11-9-24(10-12-25)15-17-5-8-21-22(13-17)32-16-31-21/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3