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

Systemtic Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-cyano-benzamide Openeye Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-cyano-benzamide CAS Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-cyanobenzamide IUPAC Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-cyanobenzamide Traditional Name: N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-cyano-benzamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c24-20-6-9-22(10-7-20)31(29,30)27-12-11-17-5-8-21(13-19(17)15-27)26-23(28)18-3-1-16(14-25)2-4-18/h1-10,13H,11-12,15H2,(H,26,28)