3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)benzenecarbonitrile

Systemtic Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)benzenecarbonitrile Openeye Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile CAS Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile IUPAC Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile Traditional Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)benzonitrile Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC2CN(CCC2C1)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H20N2O2S/c17-11-13-4-3-7-16(10-13)21(19,20)18-9-8-14-5-1-2-6-15(14)12-18/h3-4,7,10,14-15H,1-2,5-6,8-9,12H2