N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxy-5-propan-2-yl-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxy-5-propan-2-yl-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxy-5-isopropyl-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-ethoxy-5-propan-2-ylbenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxy-5-propan-2-ylbenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxy-5-isopropyl-benzenesulfonamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C27H34N4O3S/c1-4-34-25-14-12-21(20(2)3)19-26(25)35(32,33)30-23-11-9-10-22(18-23)24-13-15-27(29-28-24)31-16-7-5-6-8-17-31/h9-15,18-20,30H,4-8,16-17H2,1-3H3