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

Systemtic Name: 6-[[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Openeye Name: 6-[[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]methyl]-4-(trifluoromethyl)chromen-2-one CAS Name: 6-[[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]methyl]-4-(trifluoromethyl)-1-benzopyran-2-one IUPAC Name: 6-[[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one Traditional Name: 6-[4-[2-(3-pyridyl)piperidino]sulfonylbenzyl]-4-(trifluoromethyl)coumarin Formula: C27H23F3N2O4S MolecularWeight: 528.54273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)OC(=O)C=C5C(F)(F)F

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)CC4=CC5=C(C=C4)OC(=O)C=C5C(F)(F)F

InChI

InChI=1S/C27H23F3N2O4S/c28-27(29,30)23-16-26(33)36-25-11-8-19(15-22(23)25)14-18-6-9-21(10-7-18)37(34,35)32-13-2-1-5-24(32)20-4-3-12-31-17-20/h3-4,6-12,15-17,24H,1-2,5,13-14H2