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

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(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=C(C=C3)CS(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

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