N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromanyl-2-ethoxy-benzenesulfonamide

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromanyl-2-ethoxy-benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-2-ethoxy-benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-5-bromo-2-ethoxybenzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-2-ethoxybenzenesulfonamide Traditional Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-5-bromo-2-ethoxy-benzenesulfonamide Formula: C24H27BrN4O3S MolecularWeight: 531.46518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN4O3S/c1-2-32-22-13-9-19(25)17-23(22)33(30,31)28-20-10-7-18(8-11-20)21-12-14-24(27-26-21)29-15-5-3-4-6-16-29/h7-14,17,28H,2-6,15-16H2,1H3