1-butyl-2-[[(phenylmethyl)-prop-2-enyl-amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(phenylmethyl)-prop-2-enyl-amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[[allyl(benzyl)amino]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(phenylmethyl)-prop-2-enylamino]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[[benzyl(prop-2-enyl)amino]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[allyl(benzyl)amino]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(CC=C)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN(CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-3-5-14-26-21-12-11-19(29(23,27)28)15-20(21)24-22(26)17-25(13-4-2)16-18-9-7-6-8-10-18/h4,6-12,15H,2-3,5,13-14,16-17H2,1H3,(H2,23,27,28)