N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4SCCC#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4SCCC#N

InChI

InChI=1S/C25H23N3O3S2/c26-15-5-17-32-24-9-4-3-8-23(24)27-25(29)20-10-12-22(13-11-20)33(30,31)28-16-14-19-6-1-2-7-21(19)18-28/h1-4,6-13H,5,14,16-18H2,(H,27,29)