2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3H-benzimidazole-5-carboxamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)N

InChI

InChI=1S/C23H20N4O3S/c24-22(28)17-7-10-20-21(13-17)26-23(25-20)16-5-8-19(9-6-16)31(29,30)27-12-11-15-3-1-2-4-18(15)14-27/h1-10,13H,11-12,14H2,(H2,24,28)(H,25,26)