1-[(4-chloranylisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-4-carboxamide

Systemtic Name: 1-[(4-chloranylisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-4-carboxamide Openeye Name: 1-[(4-chloro-3-isoquinolyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-4-carboxamide CAS Name: 1-[(4-chloro-3-isoquinolinyl)methyl]-2-methyl-N-pentylsulfonyl-4-benzimidazolecarboxamide IUPAC Name: 1-[(4-chloroisoquinolin-3-yl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-4-carboxamide Traditional Name: N-amylsulfonyl-1-[(4-chloro-3-isoquinolyl)methyl]-2-methyl-benzimidazole-4-carboxamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=C2C(=CC=C1)N(C(=N2)C)CC3=C(C4=CC=CC=C4C=N3)Cl

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=C2C(=CC=C1)N(C(=N2)C)CC3=C(C4=CC=CC=C4C=N3)Cl

InChI

InChI=1S/C24H25ClN4O3S/c1-3-4-7-13-33(31,32)28-24(30)19-11-8-12-21-23(19)27-16(2)29(21)15-20-22(25)18-10-6-5-9-17(18)14-26-20/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3,(H,28,30)