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

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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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)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO4S/c1-12-4-5-15-10-16(19(21)22-18(15)13(12)2)11-26-20(23)14-6-8-17(9-7-14)27(3,24)25/h4-10H,11H2,1-3H3