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

Systemtic Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-yl-pyridazine Openeye Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-(4-pyridyl)pyridazine CAS Name: 3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-pyridin-4-ylpyridazine IUPAC Name: 3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine Traditional Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazino]-6-(4-pyridyl)pyridazine Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=NC=C4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC=NC=C4)C)OC

InChI

InChI=1S/C22H25N5O3S/c1-16-15-21(17(2)14-20(16)30-3)31(28,29)27-12-10-26(11-13-27)22-5-4-19(24-25-22)18-6-8-23-9-7-18/h4-9,14-15H,10-13H2,1-3H3