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

Systemtic Name: 1-butyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C24H33N5O2S MolecularWeight: 455.61612

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2S/c1-2-3-14-29-23-11-10-21(32(25,30)31)17-22(23)26-24(29)19-28-13-7-12-27(15-16-28)18-20-8-5-4-6-9-20/h4-6,8-11,17H,2-3,7,12-16,18-19H2,1H3,(H2,25,30,31)