2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]benzimidazole CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]benzimidazole Traditional Name: 1-benzyl-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]benzimidazole Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C27H28N4O4S/c32-36(33,22-10-11-25-26(18-22)35-17-16-34-25)30-14-12-29(13-15-30)20-27-28-23-8-4-5-9-24(23)31(27)19-21-6-2-1-3-7-21/h1-11,18H,12-17,19-20H2