4-(4-methoxyphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(4-methoxyphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(4-methoxyphenoxy)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenoxy)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(4-methoxyphenoxy)-1-[4-(3-pyridylsulfonyl)piperazino]butan-1-one Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3O5S/c1-27-17-6-8-18(9-7-17)28-15-3-5-20(24)22-11-13-23(14-12-22)29(25,26)19-4-2-10-21-16-19/h2,4,6-10,16H,3,5,11-15H2,1H3