(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

InChI

InChI=1S/C22H22ClN3O6S/c1-14(27)25-17-4-7-19(8-5-17)33(29,30)24-10-9-21(28)32-13-16-11-15-3-6-18(31-2)12-20(15)26-22(16)23/h3-8,11-12,24H,9-10,13H2,1-2H3,(H,25,27)