2-[2-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one

Systemtic Name: 2-[2-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(2,5-diethoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-[4-(2,5-diethoxyphenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H34N4O5S/c1-4-35-23-10-12-25(36-5-2)26(20-23)37(33,34)30-17-14-29(15-18-30)16-19-31-27(32)13-11-24(28-31)22-8-6-21(3)7-9-22/h6-13,20H,4-5,14-19H2,1-3H3