(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)Cl)C

InChI

InChI=1S/C22H20ClN3O4S/c1-14-4-5-17-12-18(21(23)26-20(17)15(14)2)13-30-22(27)16-6-8-19(9-7-16)31(28,29)25-11-3-10-24/h4-9,12,25H,3,11,13H2,1-2H3