methyl 4-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethylsulfamoyl]benzoate

Systemtic Name: methyl 4-[2-[(3-cyano-8-methyl-quinolin-2-yl)amino]ethylsulfamoyl]benzoate Openeye Name: methyl 4-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethylsulfamoyl]benzoate CAS Name: 4-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-cyano-8-methylquinolin-2-yl)amino]ethylsulfamoyl]benzoate Traditional Name: 4-[2-[(3-cyano-8-methyl-2-quinolyl)amino]ethylsulfamoyl]benzoic acid methyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)NCCNS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N4O4S/c1-14-4-3-5-16-12-17(13-22)20(25-19(14)16)23-10-11-24-30(27,28)18-8-6-15(7-9-18)21(26)29-2/h3-9,12,24H,10-11H2,1-2H3,(H,23,25)