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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodo-benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-iodobenzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzenesulfonamide Traditional Name: N-[4-[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=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)I

Isomeric SMILES

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

InChI

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