8-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C23H25F2N2O5S+ MolecularWeight: 479.516806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)O

InChI

InChI=1S/C23H24F2N2O5S/c1-3-15-12-16-14(2)11-20(28)32-22(16)17(21(15)29)13-26-7-9-27(10-8-26)33(30,31)23-18(24)5-4-6-19(23)25/h4-6,11-12,29H,3,7-10,13H2,1-2H3/p+1