4-[[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(2,5-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H21F2N2O5S+ MolecularWeight: 451.463646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F)O

InChI

InChI=1S/C21H20F2N2O5S/c1-13-18(26)5-3-16-14(10-20(27)30-21(13)16)12-24-6-8-25(9-7-24)31(28,29)19-11-15(22)2-4-17(19)23/h2-5,10-11,26H,6-9,12H2,1H3/p+1