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

Systemtic Name: 2-[2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-[4-(4-butoxyphenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H34N4O4S/c1-3-4-21-35-24-9-11-25(12-10-24)36(33,34)30-18-15-29(16-19-30)17-20-31-27(32)14-13-26(28-31)23-7-5-22(2)6-8-23/h5-14H,3-4,15-21H2,1-2H3