(3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO4S/c1-12-15-5-3-4-6-16(15)21-17(18(12)20)11-25-19(22)13-7-9-14(10-8-13)26(2,23)24/h3-10H,11H2,1-2H3