(phenylmethyl) 2-[(8-ethoxyquinolin-5-yl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(8-ethoxyquinolin-5-yl)sulfonyl-methyl-amino]ethanoate Openeye Name: benzyl 2-[(8-ethoxy-5-quinolyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(8-ethoxy-5-quinolinyl)sulfonyl-methylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(8-ethoxyquinolin-5-yl)sulfonyl-methylamino]acetate Traditional Name: 2-[(8-ethoxy-5-quinolyl)sulfonyl-methyl-amino]acetic acid benzyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC3=CC=CC=C3)C=CC=N2

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC3=CC=CC=C3)C=CC=N2

InChI

InChI=1S/C21H22N2O5S/c1-3-27-18-11-12-19(17-10-7-13-22-21(17)18)29(25,26)23(2)14-20(24)28-15-16-8-5-4-6-9-16/h4-13H,3,14-15H2,1-2H3