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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C(=CC(=N4)C)C

InChI

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