(2-chloranylquinolin-3-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-14(26)24-17-6-8-18(9-7-17)31(28,29)23-11-10-20(27)30-13-16-12-15-4-2-3-5-19(15)25-21(16)22/h2-9,12,23H,10-11,13H2,1H3,(H,24,26)