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

Systemtic Name: 1-butyl-2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-sulfonamide hydrochloride Openeye Name: 1-butyl-2-[[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-sulfonamide hydrochloride CAS Name: 1-butyl-2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-benzimidazolesulfonamide hydrochloride IUPAC Name: 1-butyl-2-[[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-sulfonamide hydrochloride Traditional Name: 1-butyl-2-[(2-tosyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzimidazole-5-sulfonamide hydrochloride Formula: C28H33ClN4O4S2 MolecularWeight: 589.16902

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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=C(C=C5)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4S2.ClH/c1-3-4-16-31-26-14-13-23(37(29,33)34)18-25(26)30-28(31)19-27-24-8-6-5-7-21(24)15-17-32(27)38(35,36)22-11-9-20(2)10-12-22;/h5-14,18,27H,3-4,15-17,19H2,1-2H3,(H2,29,33,34);1H