3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

Systemtic Name: 3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine Openeye Name: 3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine CAS Name: 3-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]-6-(3-methyl-1-pyrazolyl)pyridazine IUPAC Name: 3-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine Traditional Name: 3-[4-(4-butoxyphenyl)sulfonylpiperazino]-6-(3-methylpyrazol-1-yl)pyridazine Formula: C22H28N6O3S MolecularWeight: 456.56112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C=CC(=N4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C=CC(=N4)C

InChI

InChI=1S/C22H28N6O3S/c1-3-4-17-31-19-5-7-20(8-6-19)32(29,30)27-15-13-26(14-16-27)21-9-10-22(24-23-21)28-12-11-18(2)25-28/h5-12H,3-4,13-17H2,1-2H3