N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C18H18F2N2O3S2 MolecularWeight: 412.473926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C18H18F2N2O3S2/c1-27(24,25)22-10-2-3-12-11-13(4-9-16(12)22)17(23)21-14-5-7-15(8-6-14)26-18(19)20/h4-9,11,18H,2-3,10H2,1H3,(H,21,23)