(3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC(=CC=C3)CS(=O)(=O)C)Cl

InChI

InChI=1S/C20H18ClNO4S/c1-13-16-8-3-4-9-17(16)22-18(19(13)21)11-26-20(23)15-7-5-6-14(10-15)12-27(2,24)25/h3-10H,11-12H2,1-2H3