methyl 4-ethenyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxylate

Systemtic Name: methyl 4-ethenyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxylate Openeye Name: methyl 2-(p-tolylsulfonyl)-4-vinyl-3,4-dihydro-1H-isoquinoline-6-carboxylate CAS Name: 4-ethenyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 4-ethenyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6-carboxylate Traditional Name: 2-tosyl-4-vinyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=C(C2)C=CC(=C3)C(=O)OC)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=C(C2)C=CC(=C3)C(=O)OC)C=C

InChI

InChI=1S/C20H21NO4S/c1-4-15-12-21(26(23,24)18-9-5-14(2)6-10-18)13-17-8-7-16(11-19(15)17)20(22)25-3/h4-11,15H,1,12-13H2,2-3H3