1-butyl-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(phenylmethyl)-propan-2-ylamino]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[benzyl(isopropyl)amino]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-4-5-13-26-21-12-11-19(29(23,27)28)14-20(21)24-22(26)16-25(17(2)3)15-18-9-7-6-8-10-18/h6-12,14,17H,4-5,13,15-16H2,1-3H3,(H2,23,27,28)