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

Systemtic Name: (4-methoxycarbonylphenyl) (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (3R)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-3-28(24,25)21-13-16-7-5-4-6-15(16)12-18(21)20(23)27-17-10-8-14(9-11-17)19(22)26-2/h4-11,18H,3,12-13H2,1-2H3/t18-/m1/s1