(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid (2-keto-2-morpholino-ethyl) ester Formula: C25H29N3O7S MolecularWeight: 515.57866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)N4CCOCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC(=O)OCC(=O)N4CCOCC4

InChI

InChI=1S/C25H29N3O7S/c1-18(29)26-20-6-8-21(9-7-20)36(32,33)28-11-10-19-4-2-3-5-22(19)23(28)16-25(31)35-17-24(30)27-12-14-34-15-13-27/h2-9,23H,10-17H2,1H3,(H,26,29)