(2S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-fluoranylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-fluoranylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-fluorophenoxy)propan-2-ol CAS Name: (2S)-1-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-3-(2-fluorophenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-fluorophenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(2-fluorophenoxy)propan-2-ol Formula: C19H23BrFN2O4S+ MolecularWeight: 474.364323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFN2O4S/c20-15-4-3-5-17(12-15)28(25,26)23-10-8-22(9-11-23)13-16(24)14-27-19-7-2-1-6-18(19)21/h1-7,12,16,24H,8-11,13-14H2/p+1/t16-/m0/s1