(2-chloranyl-7-methyl-quinolin-3-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C19H14ClF2NO4S MolecularWeight: 425.833566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F)Cl

InChI

InChI=1S/C19H14ClF2NO4S/c1-11-2-3-13-9-14(17(20)23-16(13)8-11)10-27-18(24)12-4-6-15(7-5-12)28(25,26)19(21)22/h2-9,19H,10H2,1H3