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

Systemtic Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine Openeye Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine CAS Name: 3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(3-methyl-1-pyrazolyl)pyridazine IUPAC Name: 3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine Traditional Name: 3-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazino]-6-(3-methylpyrazol-1-yl)pyridazine Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4C)OC)C

Isomeric SMILES

CC1=NN(C=C1)C2=NN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4C)OC)C

InChI

InChI=1S/C21H26N6O3S/c1-15-14-19(16(2)13-18(15)30-4)31(28,29)26-11-9-25(10-12-26)20-5-6-21(23-22-20)27-8-7-17(3)24-27/h5-8,13-14H,9-12H2,1-4H3