2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1-butyl-benzimidazole-5-sulfonamide Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCC4CCCCC4C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCC4CCCCC4C3

InChI

InChI=1S/C21H32N4O2S/c1-2-3-11-25-20-9-8-18(28(22,26)27)13-19(20)23-21(25)15-24-12-10-16-6-4-5-7-17(16)14-24/h8-9,13,16-17H,2-7,10-12,14-15H2,1H3,(H2,22,26,27)