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

Systemtic Name: (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: (2S)-1-benzyloxy-3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanol IUPAC Name: (2S)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-3-phenylmethoxypropan-2-ol Traditional Name: (2S)-1-benzoxy-3-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c25-22(19-28-18-21-9-5-2-6-10-21)17-23-12-14-24(15-13-23)29(26,27)16-11-20-7-3-1-4-8-20/h1-11,16,22,25H,12-15,17-19H2/p+1/b16-11+/t22-/m0/s1