4-[2-(3-iodanylprop-1-ynyl)-4-methyl-1,3-oxazol-5-yl]benzenesulfonamide

Systemtic Name: 4-[2-(3-iodanylprop-1-ynyl)-4-methyl-1,3-oxazol-5-yl]benzenesulfonamide Openeye Name: 4-[2-(3-iodoprop-1-ynyl)-4-methyl-oxazol-5-yl]benzenesulfonamide CAS Name: 4-[2-(3-iodoprop-1-ynyl)-4-methyl-5-oxazolyl]benzenesulfonamide IUPAC Name: 4-[2-(3-iodoprop-1-ynyl)-4-methyl-1,3-oxazol-5-yl]benzenesulfonamide Traditional Name: 4-[2-(3-iodoprop-1-ynyl)-4-methyl-oxazol-5-yl]benzenesulfonamide Formula: C13H11IN2O3S MolecularWeight: 402.20751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)C#CCI)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=C(OC(=N1)C#CCI)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H11IN2O3S/c1-9-13(19-12(16-9)3-2-8-14)10-4-6-11(7-5-10)20(15,17)18/h4-7H,8H2,1H3,(H2,15,17,18)