N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C18H16BrF3N2O3S MolecularWeight: 477.29545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrF3N2O3S/c1-28(26,27)24-8-2-3-11-9-12(4-7-16(11)24)17(25)23-13-5-6-15(19)14(10-13)18(20,21)22/h4-7,9-10H,2-3,8H2,1H3,(H,23,25)