(4-methoxycarbonylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23NO6S/c1-3-29(25,26)22-13-18-7-5-4-6-17(18)12-19(22)21(24)28-14-15-8-10-16(11-9-15)20(23)27-2/h4-11,19H,3,12-14H2,1-2H3/t19-/m0/s1