3-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine

Systemtic Name: 3-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine Openeye Name: 3-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine CAS Name: 3-[4-(5-tert-butyl-2-methoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrazolyl)pyridazine IUPAC Name: 3-[4-(5-tert-butyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine Traditional Name: 3-[4-(5-tert-butyl-2-methoxy-phenyl)sulfonylpiperazino]-6-pyrazol-1-yl-pyridazine Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O3S/c1-22(2,3)17-6-7-18(31-4)19(16-17)32(29,30)27-14-12-26(13-15-27)20-8-9-21(25-24-20)28-11-5-10-23-28/h5-11,16H,12-15H2,1-4H3