1-butyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C24H32FN5O2S MolecularWeight: 473.606583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H32FN5O2S/c1-2-3-13-30-23-10-9-21(33(26,31)32)16-22(23)27-24(30)18-29-12-4-11-28(14-15-29)17-19-5-7-20(25)8-6-19/h5-10,16H,2-4,11-15,17-18H2,1H3,(H2,26,31,32)