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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-3-28(25,26)22-13-16-7-5-4-6-15(16)12-19(22)20(24)27-18-10-8-17(9-11-18)21-14(2)23/h4-11,19H,3,12-13H2,1-2H3,(H,21,23)