3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine

Systemtic Name: 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine Openeye Name: 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-yl-pyridazine CAS Name: 3-[4-(2,5-diethoxyphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrazolyl)pyridazine IUPAC Name: 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine Traditional Name: 3-[4-(2,5-diethoxyphenyl)sulfonylpiperazino]-6-pyrazol-1-yl-pyridazine Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6O4S/c1-3-30-17-6-7-18(31-4-2)19(16-17)32(28,29)26-14-12-25(13-15-26)20-8-9-21(24-23-20)27-11-5-10-22-27/h5-11,16H,3-4,12-15H2,1-2H3