N-(2-methyl-1-phenyl-benzimidazol-5-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-methyl-1-phenyl-benzimidazol-5-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-methyl-1-phenyl-benzimidazol-5-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(2-methyl-1-phenyl-5-benzimidazolyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-methyl-1-phenylbenzimidazol-5-yl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-mesyl-N-(2-methyl-1-phenyl-benzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C

InChI

InChI=1S/C25H24N4O3S/c1-17-26-22-15-20(12-13-23(22)29(17)21-10-4-3-5-11-21)27-25(30)24-14-18-8-6-7-9-19(18)16-28(24)33(2,31)32/h3-13,15,24H,14,16H2,1-2H3,(H,27,30)