6-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzyl]-4-(trifluoromethyl)coumarin Formula: C26H20F3NO4S MolecularWeight: 499.50151

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)OC(=O)C=C5C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)OC(=O)C=C5C(F)(F)F

InChI

InChI=1S/C26H20F3NO4S/c27-26(28,29)23-15-25(31)34-24-10-7-18(14-22(23)24)13-17-5-8-21(9-6-17)35(32,33)30-12-11-19-3-1-2-4-20(19)16-30/h1-10,14-15H,11-13,16H2