4-iodanyl-N-[(2S,3R)-3-methoxy-1-oxidanyl-5-phenyl-pent-4-yn-2-yl]benzenesulfonamide

Systemtic Name: 4-iodanyl-N-[(2S,3R)-3-methoxy-1-oxidanyl-5-phenyl-pent-4-yn-2-yl]benzenesulfonamide Openeye Name: N-[(1S,2R)-1-(hydroxymethyl)-2-methoxy-4-phenyl-but-3-ynyl]-4-iodo-benzenesulfonamide CAS Name: N-[(2S,3R)-1-hydroxy-3-methoxy-5-phenylpent-4-yn-2-yl]-4-iodobenzenesulfonamide IUPAC Name: N-[(2S,3R)-1-hydroxy-3-methoxy-5-phenylpent-4-yn-2-yl]-4-iodobenzenesulfonamide Traditional Name: 4-iodo-N-[(1S,2R)-2-methoxy-1-methylol-4-phenyl-but-3-ynyl]benzenesulfonamide Formula: C18H18INO4S MolecularWeight: 471.30929

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Descriptors Computed from Structure

Canonical SMILES:

COC(C#CC1=CC=CC=C1)C(CO)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CO[C@H](C#CC1=CC=CC=C1)[C@H](CO)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H18INO4S/c1-24-18(12-7-14-5-3-2-4-6-14)17(13-21)20-25(22,23)16-10-8-15(19)9-11-16/h2-6,8-11,17-18,20-21H,13H2,1H3/t17-,18+/m0/s1