1-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[4-(difluoromethoxy)-3-methoxy-benzyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C17H21F2N2O4S2+ MolecularWeight: 419.486446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)OC(F)F

InChI

InChI=1S/C17H20F2N2O4S2/c1-24-15-11-13(4-5-14(15)25-17(18)19)12-20-6-8-21(9-7-20)27(22,23)16-3-2-10-26-16/h2-5,10-11,17H,6-9,12H2,1H3/p+1