(2S)-1-(2-fluoranylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-fluoranylphenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(2-fluorophenoxy)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(2-fluorophenoxy)-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-fluorophenoxy)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(2-fluorophenoxy)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C17H22FN2O4S2+ MolecularWeight: 401.495983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC=C2F)O)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21FN2O4S2/c18-15-4-1-2-5-16(15)24-13-14(21)12-19-7-9-20(10-8-19)26(22,23)17-6-3-11-25-17/h1-6,11,14,21H,7-10,12-13H2/p+1/t14-/m0/s1