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

Systemtic Name: tert-butyl (E)-3-[6-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[6-butyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enoate CAS Name: (E)-3-[6-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[6-butyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-yl]prop-2-enoate Traditional Name: (E)-3-(6-butyl-2-tosyl-3,4-dihydro-1H-isoquinolin-5-yl)acrylic acid tert-butyl ester Formula: C27H35NO4S MolecularWeight: 469.6361

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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(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO4S/c1-6-7-8-21-11-12-22-19-28(33(30,31)23-13-9-20(2)10-14-23)18-17-25(22)24(21)15-16-26(29)32-27(3,4)5/h9-16H,6-8,17-19H2,1-5H3/b16-15+