6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(2-methoxy-4,5-dimethyl-phenyl)sulfonylpiperazino]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=C(C=C(C(=C4)C)C)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=C(C=C(C(=C4)C)C)OC

InChI

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