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

Systemtic Name: 4-[[2-(4-tert-butylphenyl)sulfonyl-6-oxidanylidene-3,4,7,8-tetrahydro-1H-isoquinolin-8a-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(4-tert-butylphenyl)sulfonyl-6-oxo-3,4,7,8-tetrahydro-1H-isoquinolin-8a-yl]methyl]benzonitrile CAS Name: 4-[[2-(4-tert-butylphenyl)sulfonyl-6-oxo-3,4,7,8-tetrahydro-1H-isoquinolin-8a-yl]methyl]benzonitrile IUPAC Name: 4-[[2-(4-tert-butylphenyl)sulfonyl-6-oxo-3,4,7,8-tetrahydro-1H-isoquinolin-8a-yl]methyl]benzonitrile Traditional Name: 4-[[2-(4-tert-butylphenyl)sulfonyl-6-keto-3,4,7,8-tetrahydro-1H-isoquinolin-8a-yl]methyl]benzonitrile Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=O)CCC3(C2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H30N2O3S/c1-26(2,3)22-8-10-25(11-9-22)33(31,32)29-15-13-23-16-24(30)12-14-27(23,19-29)17-20-4-6-21(18-28)7-5-20/h4-11,16H,12-15,17,19H2,1-3H3