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

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)Cl)C

InChI

InChI=1S/C21H20ClNO4S/c1-13-7-8-16-10-18(20(22)23-19(16)14(13)2)11-27-21(24)17-6-4-5-15(9-17)12-28(3,25)26/h4-10H,11-12H2,1-3H3