3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine

Systemtic Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine Openeye Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine CAS Name: 3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrazolyl)pyridazine IUPAC Name: 3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine Traditional Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazino]-6-pyrazol-1-yl-pyridazine Formula: C20H24N6O3S MolecularWeight: 428.50796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C=CC=N4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C=CC=N4)C)OC

InChI

InChI=1S/C20H24N6O3S/c1-15-14-18(16(2)13-17(15)29-3)30(27,28)25-11-9-24(10-12-25)19-5-6-20(23-22-19)26-8-4-7-21-26/h4-8,13-14H,9-12H2,1-3H3