1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Openeye Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-7-(5-methyl-2-thiophenyl)heptane-1,4,7-trione IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Traditional Name: 1-[4-(4-fluorophenyl)sulfonylpiperazino]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione Formula: C22H25FN2O5S2 MolecularWeight: 480.572703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O5S2/c1-16-2-10-21(31-16)20(27)9-5-18(26)6-11-22(28)24-12-14-25(15-13-24)32(29,30)19-7-3-17(23)4-8-19/h2-4,7-8,10H,5-6,9,11-15H2,1H3