N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloranyl-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloranyl-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloro-2,5-dimethyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-chloro-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloro-2,5-dimethylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-chloro-2,5-dimethyl-benzenesulfonamide Formula: C24H27ClN4O2S MolecularWeight: 471.01478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H27ClN4O2S/c1-17-15-23(18(2)14-21(17)25)32(30,31)28-20-9-7-8-19(16-20)22-10-11-24(27-26-22)29-12-5-3-4-6-13-29/h7-11,14-16,28H,3-6,12-13H2,1-2H3