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

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H27F2N2O4S+ MolecularWeight: 477.543986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4F)F)C(C)C

InChI

InChI=1S/C24H26F2N2O4S/c1-15(2)18-13-19-17(12-23(29)32-22(19)11-16(18)3)14-27-7-9-28(10-8-27)33(30,31)24-20(25)5-4-6-21(24)26/h4-6,11-13,15H,7-10,14H2,1-3H3/p+1