N-[3-(azepan-1-ium-1-yl)propyl]-4-iodanyl-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-iodo-benzenesulfonamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-iodobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-iodobenzenesulfonamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-iodo-benzenesulfonamide Formula: C15H24IN2O2S+ MolecularWeight: 423.33273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C1CCC[NH+](CC1)CCCNS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C15H23IN2O2S/c16-14-6-8-15(9-7-14)21(19,20)17-10-5-13-18-11-3-1-2-4-12-18/h6-9,17H,1-5,10-13H2/p+1