(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenylmethoxy-propan-2-ol

Systemtic Name: (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: (2S)-1-benzyloxy-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanol IUPAC Name: (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-3-phenylmethoxypropan-2-ol Traditional Name: (2S)-1-benzoxy-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C20H26FN2O4S+ MolecularWeight: 409.494843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O4S/c21-18-6-8-20(9-7-18)28(25,26)23-12-10-22(11-13-23)14-19(24)16-27-15-17-4-2-1-3-5-17/h1-9,19,24H,10-16H2/p+1/t19-/m0/s1