methyl 4-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethylsulfamoyl]benzoate

Systemtic Name: methyl 4-[2-[(3-cyano-5,7-dimethyl-quinolin-2-yl)amino]ethylsulfamoyl]benzoate Openeye Name: methyl 4-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethylsulfamoyl]benzoate CAS Name: 4-[2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethylsulfamoyl]benzoate Traditional Name: 4-[2-[(3-cyano-5,7-dimethyl-2-quinolyl)amino]ethylsulfamoyl]benzoic acid methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)NCCNS(=O)(=O)C3=CC=C(C=C3)C(=O)OC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCNS(=O)(=O)C3=CC=C(C=C3)C(=O)OC)C#N)C

InChI

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