1-(4-ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-ethoxyphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-4-p-phenetyl-butane-1,4-dione Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-2-30-19-8-6-17(7-9-19)21(26)10-11-22(27)24-12-14-25(15-13-24)31(28,29)20-5-3-4-18(23)16-20/h3-9,16H,2,10-15H2,1H3