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

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

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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=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)19-6-5-7-20(16-19)32(30,31)25-18-10-8-17(9-11-18)21-12-13-22(24-23-21)26-14-3-1-2-4-15-26/h5-13,16,25H,1-4,14-15H2