3-(isoquinolin-3-ylmethyl)-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-(isoquinolin-3-ylmethyl)-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-(3-isoquinolylmethyl)-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-(3-isoquinolinylmethyl)-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-(isoquinolin-3-ylmethyl)-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(3-isoquinolylmethyl)-2-methyl-benzimidazole-5-carboxamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC4=CC=CC=C4C=N3)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=CC4=CC=CC=C4C=N3)C

InChI

InChI=1S/C24H26N4O3S/c1-3-4-7-12-32(30,31)27-24(29)19-10-11-22-23(14-19)28(17(2)26-22)16-21-13-18-8-5-6-9-20(18)15-25-21/h5-6,8-11,13-15H,3-4,7,12,16H2,1-2H3,(H,27,29)