N-(hydroxymethyl)-4-iodanyl-N-(1-methoxy-4-phenyl-but-2-ynyl)benzenesulfonamide

Systemtic Name: N-(hydroxymethyl)-4-iodanyl-N-(1-methoxy-4-phenyl-but-2-ynyl)benzenesulfonamide Openeye Name: N-(hydroxymethyl)-4-iodo-N-(1-methoxy-4-phenyl-but-2-ynyl)benzenesulfonamide CAS Name: N-(hydroxymethyl)-4-iodo-N-(1-methoxy-4-phenylbut-2-ynyl)benzenesulfonamide IUPAC Name: N-(hydroxymethyl)-4-iodo-N-(1-methoxy-4-phenylbut-2-ynyl)benzenesulfonamide Traditional Name: 4-iodo-N-(1-methoxy-4-phenyl-but-2-ynyl)-N-methylol-benzenesulfonamide Formula: C18H18INO4S MolecularWeight: 471.30929

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Descriptors Computed from Structure

Canonical SMILES:

COC(C#CCC1=CC=CC=C1)N(CO)S(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC(C#CCC1=CC=CC=C1)N(CO)S(=O)(=O)C2=CC=C(C=C2)I

InChI

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