6-[[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one

Systemtic Name: 6-[[4-(3-oxidanylpiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-[(3-hydroxy-1-piperidyl)sulfonyl]phenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-[(3-hydroxy-1-piperidinyl)sulfonyl]phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[[4-(3-hydroxypiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-[4-(3-hydroxypiperidino)sulfonylbenzyl]-4-(trifluoromethyl)coumarin Formula: C22H20F3NO5S MolecularWeight: 467.45811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)OC(=O)C=C4C(F)(F)F)O

InChI

InChI=1S/C22H20F3NO5S/c23-22(24,25)19-12-21(28)31-20-8-5-15(11-18(19)20)10-14-3-6-17(7-4-14)32(29,30)26-9-1-2-16(27)13-26/h3-8,11-12,16,27H,1-2,9-10,13H2