2-[[6-oxidanylidene-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 2-[[6-oxidanylidene-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl]sulfonyl]benzenecarbonitrile Openeye Name: 2-[(8a-benzyl-6-oxo-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile CAS Name: 2-[[6-oxo-8a-(phenylmethyl)-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl]sulfonyl]benzonitrile IUPAC Name: 2-[(8a-benzyl-6-oxo-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile Traditional Name: 2-[(8a-benzyl-6-keto-3,4,7,8-tetrahydro-1H-isoquinolin-2-yl)sulfonyl]benzonitrile Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CC2(CN(CCC2=CC1=O)S(=O)(=O)C3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c24-16-19-8-4-5-9-22(19)29(27,28)25-13-11-20-14-21(26)10-12-23(20,17-25)15-18-6-2-1-3-7-18/h1-9,14H,10-13,15,17H2