4-[3,4-dihydro-2H-chromen-3-yl(oxidanyl)methyl]-N-[(6-fluoranylquinolin-2-yl)methoxy]-N-methylsulfonyl-benzamide

Systemtic Name: 4-[3,4-dihydro-2H-chromen-3-yl(oxidanyl)methyl]-N-[(6-fluoranylquinolin-2-yl)methoxy]-N-methylsulfonyl-benzamide Openeye Name: 4-[chroman-3-yl(hydroxy)methyl]-N-[(6-fluoro-2-quinolyl)methoxy]-N-methylsulfonyl-benzamide CAS Name: 4-[3,4-dihydro-2H-1-benzopyran-3-yl(hydroxy)methyl]-N-[(6-fluoro-2-quinolinyl)methoxy]-N-methylsulfonylbenzamide IUPAC Name: 4-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]-N-[(6-fluoroquinolin-2-yl)methoxy]-N-methylsulfonylbenzamide Traditional Name: 4-[chroman-3-yl(hydroxy)methyl]-N-[(6-fluoro-2-quinolyl)methoxy]-N-mesyl-benzamide Formula: C28H25FN2O6S MolecularWeight: 536.571303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1=CC=C(C=C1)C(C2CC3=CC=CC=C3OC2)O)OCC4=NC5=C(C=C4)C=C(C=C5)F

Isomeric SMILES

CS(=O)(=O)N(C(=O)C1=CC=C(C=C1)C(C2CC3=CC=CC=C3OC2)O)OCC4=NC5=C(C=C4)C=C(C=C5)F

InChI

InChI=1S/C28H25FN2O6S/c1-38(34,35)31(37-17-24-12-10-20-15-23(29)11-13-25(20)30-24)28(33)19-8-6-18(7-9-19)27(32)22-14-21-4-2-3-5-26(21)36-16-22/h2-13,15,22,27,32H,14,16-17H2,1H3