3-[2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzonitrile CAS Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzonitrile IUPAC Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(2-mesylphenyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-yl]benzonitrile Formula: C29H24N2O2S MolecularWeight: 464.57806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCC4=CC=CC(=C4C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)N3CCC4=CC=CC(=C4C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H24N2O2S/c1-34(32,33)29-11-3-2-9-27(29)23-12-14-25(15-13-23)31-17-16-22-7-5-10-26(28(22)20-31)24-8-4-6-21(18-24)19-30/h2-15,18H,16-17,20H2,1H3