(E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile Openeye Name: (E)-3-[6-methyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile CAS Name: (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-propenenitrile IUPAC Name: (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile Traditional Name: (E)-3-(6-methyl-2-tosyl-3,4-dihydro-1H-isoquinolin-5-yl)acrylonitrile Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=CC(=C3C=CC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=CC(=C3/C=C/C#N)C

InChI

InChI=1S/C20H20N2O2S/c1-15-5-9-18(10-6-15)25(23,24)22-13-11-20-17(14-22)8-7-16(2)19(20)4-3-12-21/h3-10H,11,13-14H2,1-2H3/b4-3+