N-[3-[[(3S,4R)-6-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: N-[3-[[(3S,4R)-6-[(E)-2-(7-chloranylquinolin-2-yl)ethenyl]-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: N-[3-[[(3S,4R)-6-[(E)-2-(7-chloro-2-quinolyl)vinyl]-4-hydroxy-2,2-dimethyl-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide CAS Name: N-[3-[[(3S,4R)-6-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide IUPAC Name: N-[3-[[(3S,4R)-6-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-3-yl]methyl]-4-methoxyphenyl]-1,1,1-trifluoromethanesulfonamide Traditional Name: N-[3-[[(3S,4R)-6-[(E)-2-(7-chloro-2-quinolyl)vinyl]-4-hydroxy-2,2-dimethyl-chroman-3-yl]methyl]-4-methoxy-phenyl]-1,1,1-trifluoro-methanesulfonamide Formula: C31H28ClF3N2O5S MolecularWeight: 633.07763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O)CC5=C(C=CC(=C5)NS(=O)(=O)C(F)(F)F)OC)C

Isomeric SMILES

CC1([C@H]([C@H](C2=C(O1)C=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O)CC5=C(C=CC(=C5)NS(=O)(=O)C(F)(F)F)OC)C

InChI

InChI=1S/C31H28ClF3N2O5S/c1-30(2)25(16-20-15-23(11-13-27(20)41-3)37-43(39,40)31(33,34)35)29(38)24-14-18(5-12-28(24)42-30)4-9-22-10-7-19-6-8-21(32)17-26(19)36-22/h4-15,17,25,29,37-38H,16H2,1-3H3/b9-4+/t25-,29-/m0/s1