ethyl 4-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[6-(2-furyl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[6-(2-furanyl)-3-pyridazinyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[6-(2-furyl)pyridazin-3-yl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C21H22N4O5S/c1-2-29-21(26)16-5-7-17(8-6-16)31(27,28)25-13-11-24(12-14-25)20-10-9-18(22-23-20)19-4-3-15-30-19/h3-10,15H,2,11-14H2,1H3