N-[[5-(but-3-ynoxymethyl)-2H-1,2,3-triazol-4-yl]methyl]-4-iodanyl-benzenesulfonamide

Systemtic Name: N-[[5-(but-3-ynoxymethyl)-2H-1,2,3-triazol-4-yl]methyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[[5-(but-3-ynoxymethyl)-2H-triazol-4-yl]methyl]-4-iodo-benzenesulfonamide CAS Name: N-[[5-(but-3-ynoxymethyl)-2H-triazol-4-yl]methyl]-4-iodobenzenesulfonamide IUPAC Name: N-[[5-(but-3-ynoxymethyl)-2H-triazol-4-yl]methyl]-4-iodobenzenesulfonamide Traditional Name: N-[[5-(but-3-ynoxymethyl)-2H-triazol-4-yl]methyl]-4-iodo-benzenesulfonamide Formula: C14H15IN4O3S MolecularWeight: 446.26337

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCOCC1=NNN=C1CNS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C#CCCOCC1=NNN=C1CNS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H15IN4O3S/c1-2-3-8-22-10-14-13(17-19-18-14)9-16-23(20,21)12-6-4-11(15)5-7-12/h1,4-7,16H,3,8-10H2,(H,17,18,19)