2-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol

Systemtic Name: 2-[[4-[2,6-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-yl-phenol Openeye Name: 2-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol CAS Name: 2-[[4-(2,6-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-4-propan-2-ylphenol IUPAC Name: 2-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-propan-2-ylphenol Traditional Name: 2-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-isopropyl-5-methyl-phenol Formula: C21H27F2N2O3S+ MolecularWeight: 425.512486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F)O

InChI

InChI=1S/C21H26F2N2O3S/c1-14(2)17-12-16(20(26)11-15(17)3)13-24-7-9-25(10-8-24)29(27,28)21-18(22)5-4-6-19(21)23/h4-6,11-12,14,26H,7-10,13H2,1-3H3/p+1