N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c28-27(29)20-7-3-4-8-21(20)32(30,31)25-18-11-9-17(10-12-18)19-13-14-22(24-23-19)26-15-5-1-2-6-16-26/h3-4,7-14,25H,1-2,5-6,15-16H2