7-methoxy-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C22H22F3N2O5S+ MolecularWeight: 483.48069

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H21F3N2O5S/c1-31-16-6-7-17-15(12-21(28)32-19(17)13-16)14-26-8-10-27(11-9-26)33(29,30)20-5-3-2-4-18(20)22(23,24)25/h2-7,12-13H,8-11,14H2,1H3/p+1