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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CN=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CN=CC=C4)OC

InChI

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