4-(4-ethanoyl-2-methoxy-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(4-ethanoyl-2-methoxy-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(4-acetyl-2-methoxy-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one CAS Name: 4-(4-acetyl-2-methoxyphenoxy)-1-(4-methylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(4-acetyl-2-methoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(4-acetyl-2-methoxy-phenoxy)-1-(4-mesylpiperazino)butan-1-one Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C)OC

InChI

InChI=1S/C18H26N2O6S/c1-14(21)15-6-7-16(17(13-15)25-2)26-12-4-5-18(22)19-8-10-20(11-9-19)27(3,23)24/h6-7,13H,4-5,8-12H2,1-3H3