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

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-methyl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-methyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-3-methylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-methylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-methyl-benzenesulfonamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-18-8-6-11-21(16-18)30(28,29)26-20-10-7-9-19(17-20)22-12-13-23(25-24-22)27-14-4-2-3-5-15-27/h6-13,16-17,26H,2-5,14-15H2,1H3