6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-(1-piperidylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-(4-piperidinosulfonylbenzyl)-4-(trifluoromethyl)coumarin Formula: C22H20F3NO4S MolecularWeight: 451.45871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F

InChI

InChI=1S/C22H20F3NO4S/c23-22(24,25)19-14-21(27)30-20-9-6-16(13-18(19)20)12-15-4-7-17(8-5-15)31(28,29)26-10-2-1-3-11-26/h4-9,13-14H,1-3,10-12H2