N-butyl-N-(cyanomethyl)-4-iodanyl-benzenesulfonamide

Systemtic Name: N-butyl-N-(cyanomethyl)-4-iodanyl-benzenesulfonamide Openeye Name: N-butyl-N-(cyanomethyl)-4-iodo-benzenesulfonamide CAS Name: N-butyl-N-(cyanomethyl)-4-iodobenzenesulfonamide IUPAC Name: N-butyl-N-(cyanomethyl)-4-iodobenzenesulfonamide Traditional Name: N-butyl-N-(cyanomethyl)-4-iodo-benzenesulfonamide Formula: C12H15IN2O2S MolecularWeight: 378.22917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)S(=O)(=O)C1=CC=C(C=C1)I

Isomeric SMILES

CCCCN(CC#N)S(=O)(=O)C1=CC=C(C=C1)I

InChI

InChI=1S/C12H15IN2O2S/c1-2-3-9-15(10-8-14)18(16,17)12-6-4-11(13)5-7-12/h4-7H,2-3,9-10H2,1H3