3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzenecarbonitrile Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S/c17-11-13-4-3-7-16(10-13)21(19,20)18-9-8-14-5-1-2-6-15(14)12-18/h1-7,10H,8-9,12H2