4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazino]methyl]-7-methoxy-coumarin Formula: C23H20F6N2O5S MolecularWeight: 550.470719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H20F6N2O5S/c1-35-17-2-3-19-14(8-21(32)36-20(19)12-17)13-30-4-6-31(7-5-30)37(33,34)18-10-15(22(24,25)26)9-16(11-18)23(27,28)29/h2-3,8-12H,4-7,13H2,1H3