3-[(4-bromanylisoquinolin-1-yl)methyl]-N-butylsulfonyl-2-methyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(4-bromanylisoquinolin-1-yl)methyl]-N-butylsulfonyl-2-methyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-bromo-1-isoquinolyl)methyl]-N-butylsulfonyl-2-methyl-benzimidazole-5-carboxamide CAS Name: 3-[(4-bromo-1-isoquinolinyl)methyl]-N-butylsulfonyl-2-methyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(4-bromoisoquinolin-1-yl)methyl]-N-butylsulfonyl-2-methylbenzimidazole-5-carboxamide Traditional Name: 3-[(4-bromo-1-isoquinolyl)methyl]-N-butylsulfonyl-2-methyl-benzimidazole-5-carboxamide Formula: C23H23BrN4O3S MolecularWeight: 515.42272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=NC=C(C4=CC=CC=C43)Br)C

Isomeric SMILES

CCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=NC=C(C4=CC=CC=C43)Br)C

InChI

InChI=1S/C23H23BrN4O3S/c1-3-4-11-32(30,31)27-23(29)16-9-10-20-22(12-16)28(15(2)26-20)14-21-18-8-6-5-7-17(18)19(24)13-25-21/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,27,29)