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

Systemtic Name: (4-aminocarbonylphenyl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbamoylbenzyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-2-28(25,26)22-12-17-6-4-3-5-16(17)11-18(22)20(24)27-13-14-7-9-15(10-8-14)19(21)23/h3-10,18H,2,11-13H2,1H3,(H2,21,23)