3-cyano-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 3-cyano-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 3-cyano-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 3-cyano-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 3-cyano-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 3-cyano-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H21N3O3S/c1-17-5-9-23(10-6-17)31(29,30)27-12-11-19-7-8-22(14-21(19)16-27)26-24(28)20-4-2-3-18(13-20)15-25/h2-10,13-14H,11-12,16H2,1H3,(H,26,28)