6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-phenyl-1H-benzimidazole IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-phenyl-1H-benzimidazole Traditional Name: 2-phenyl-6-(4-piperonylpiperazino)sulfonyl-1H-benzimidazole Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C25H24N4O4S/c30-34(31,20-7-8-21-22(15-20)27-25(26-21)19-4-2-1-3-5-19)29-12-10-28(11-13-29)16-18-6-9-23-24(14-18)33-17-32-23/h1-9,14-15H,10-13,16-17H2,(H,26,27)