1-butyl-2-[[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C27H30N4O4S2 MolecularWeight: 538.6815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O4S2/c1-2-3-16-30-25-14-13-22(36(28,32)33)18-24(25)29-27(30)19-26-23-12-8-7-9-20(23)15-17-31(26)37(34,35)21-10-5-4-6-11-21/h4-14,18,26H,2-3,15-17,19H2,1H3,(H2,28,32,33)