[(3S,4S)-4-(methoxycarbamoyl)-1-phenylmethoxy-hexan-3-yl]-methyl-phenyl-sulfanium iodide

Systemtic Name: [(3S,4S)-4-(methoxycarbamoyl)-1-phenylmethoxy-hexan-3-yl]-methyl-phenyl-sulfanium iodide Openeye Name: [(1S,2S)-1-(2-benzyloxyethyl)-2-(methoxycarbamoyl)butyl]-methyl-phenyl-sulfonium iodide CAS Name: [(3S,4S)-4-[(methoxyamino)-oxomethyl]-1-phenylmethoxyhexan-3-yl]-methyl-phenylsulfonium iodide IUPAC Name: [(3S,4S)-4-(methoxycarbamoyl)-1-phenylmethoxyhexan-3-yl]-methyl-phenylsulfanium iodide Traditional Name: [(1S,2S)-1-(2-benzoxyethyl)-2-(methoxycarbamoyl)butyl]-methyl-phenyl-sulfonium iodide Formula: C22H30INO3S MolecularWeight: 515.44797

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCOCC1=CC=CC=C1)[S+](C)C2=CC=CC=C2)C(=O)NOC.[I-]

Isomeric SMILES

CC[C@H]([C@H](CCOCC1=CC=CC=C1)[S+](C)C2=CC=CC=C2)C(=O)NOC.[I-]

InChI

InChI=1S/C22H29NO3S.HI/c1-4-20(22(24)23-25-2)21(27(3)19-13-9-6-10-14-19)15-16-26-17-18-11-7-5-8-12-18;/h5-14,20-21H,4,15-17H2,1-3H3;1H/t20-,21+,27?;/m1./s1