1-methyl-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole

Systemtic Name: 1-methyl-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole Openeye Name: 1-methyl-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole CAS Name: 1-methyl-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole IUPAC Name: 1-methyl-2-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole Traditional Name: 2-[[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]methyl]-1-methyl-benzimidazole Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CCCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H28N4O2S/c1-24-21-7-4-3-6-20(21)23-22(24)17-26-13-5-12-25(14-15-26)16-18-8-10-19(11-9-18)29(2,27)28/h3-4,6-11H,5,12-17H2,1-2H3