ethyl 3-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethylsulfamoyl]benzoate

Systemtic Name: ethyl 3-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethylsulfamoyl]benzoate Openeye Name: ethyl 3-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethylsulfamoyl]benzoate CAS Name: 3-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethylsulfamoyl]benzoate Traditional Name: 3-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethylsulfamoyl]benzoic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCNC2=NC3=C(C=CC=C3C)C=C2C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCNC2=NC3=C(C=CC=C3C)C=C2C#N

InChI

InChI=1S/C22H22N4O4S/c1-3-30-22(27)17-8-5-9-19(13-17)31(28,29)25-11-10-24-21-18(14-23)12-16-7-4-6-15(2)20(16)26-21/h4-9,12-13,25H,3,10-11H2,1-2H3,(H,24,26)