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

Systemtic Name: (E)-3-[6-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile Openeye Name: (E)-3-[6-butyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile CAS Name: (E)-3-[6-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-propenenitrile IUPAC Name: (E)-3-[6-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enenitrile Traditional Name: (E)-3-(6-butyl-2-tosyl-3,4-dihydro-1H-isoquinolin-5-yl)acrylonitrile Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1)C=CC#N

Isomeric SMILES

CCCCC1=C(C2=C(CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C=C1)/C=C/C#N

InChI

InChI=1S/C23H26N2O2S/c1-3-4-6-19-10-11-20-17-25(16-14-23(20)22(19)7-5-15-24)28(26,27)21-12-8-18(2)9-13-21/h5,7-13H,3-4,6,14,16-17H2,1-2H3/b7-5+