N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodanyl-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodo-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-iodobenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodo-benzenesulfonamide Formula: C22H23IN4O2S MolecularWeight: 534.41309

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C22H23IN4O2S/c23-18-8-10-20(11-9-18)30(28,29)26-19-7-5-6-17(16-19)21-12-13-22(25-24-21)27-14-3-1-2-4-15-27/h5-13,16,26H,1-4,14-15H2