3-[2-[4-(2-methylsulfonylphenyl)phenyl]-1-oxidanylidene-3,4-dihydroisoquinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-1-oxidanylidene-3,4-dihydroisoquinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-1-oxo-3,4-dihydroisoquinolin-8-yl]benzonitrile CAS Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-1-oxo-3,4-dihydroisoquinolin-8-yl]benzonitrile IUPAC Name: 3-[2-[4-(2-methylsulfonylphenyl)phenyl]-1-oxo-3,4-dihydroisoquinolin-8-yl]benzonitrile Traditional Name: 3-[1-keto-2-[4-(2-mesylphenyl)phenyl]-3,4-dihydroisoquinolin-8-yl]benzonitrile Formula: C29H22N2O3S MolecularWeight: 478.56158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O3S/c1-35(33,34)27-11-3-2-9-25(27)21-12-14-24(15-13-21)31-17-16-22-7-5-10-26(28(22)29(31)32)23-8-4-6-20(18-23)19-30/h2-15,18H,16-17H2,1H3