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

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-yl-pyridazine Openeye Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(3-pyridyl)pyridazine CAS Name: 3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(3-pyridinyl)pyridazine IUPAC Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-3-ylpyridazine Traditional Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-6-(3-pyridyl)pyridazine Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-16-5-6-17(2)20(14-16)29(27,28)26-12-10-25(11-13-26)21-8-7-19(23-24-21)18-4-3-9-22-15-18/h3-9,14-15H,10-13H2,1-2H3