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

Systemtic Name: (2R)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-fluoranylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-fluorophenoxy)propan-2-ol CAS Name: (2R)-1-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-3-(4-fluorophenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-fluorophenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-3-(4-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=C(C=C2)F)O)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=C(C=C2)F)O)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H22BrFN2O4S/c20-15-2-1-3-19(12-15)28(25,26)23-10-8-22(9-11-23)13-17(24)14-27-18-6-4-16(21)5-7-18/h1-7,12,17,24H,8-11,13-14H2/p+1/t17-/m1/s1