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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,6-trimethyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,6-trimethyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2,4,6-trimethylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,6-trimethylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,6-trimethyl-benzenesulfonamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C25H30N4O2S/c1-18-15-19(2)25(20(3)16-18)32(30,31)28-22-10-8-9-21(17-22)23-11-12-24(27-26-23)29-13-6-4-5-7-14-29/h8-12,15-17,28H,4-7,13-14H2,1-3H3