methyl (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]ethanoate Openeye Name: methyl (2E)-2-[3-phenyl-2-(p-tolylsulfonyl)-1,3-dihydroisoquinolin-4-ylidene]acetate CAS Name: (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydroisoquinolin-4-ylidene]acetate Traditional Name: (2E)-2-(3-phenyl-2-tosyl-1,3-dihydroisoquinolin-4-ylidene)acetic acid methyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C(=CC(=O)OC)C2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3/C(=C\C(=O)OC)/C2C4=CC=CC=C4

InChI

InChI=1S/C25H23NO4S/c1-18-12-14-21(15-13-18)31(28,29)26-17-20-10-6-7-11-22(20)23(16-24(27)30-2)25(26)19-8-4-3-5-9-19/h3-16,25H,17H2,1-2H3/b23-16+