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

Systemtic Name: ethyl (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[6-methyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enoate CAS Name: (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[6-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enoate Traditional Name: (E)-3-(6-methyl-2-tosyl-3,4-dihydro-1H-isoquinolin-5-yl)acrylic acid ethyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C=CC2=C1CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C=CC2=C1CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H25NO4S/c1-4-27-22(24)12-11-20-17(3)7-8-18-15-23(14-13-21(18)20)28(25,26)19-9-5-16(2)6-10-19/h5-12H,4,13-15H2,1-3H3/b12-11+