1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione

Systemtic Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Openeye Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione CAS Name: 1-[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-7-(5-methyl-2-thiophenyl)heptane-1,4,7-trione IUPAC Name: 1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-7-(5-methylthiophen-2-yl)heptane-1,4,7-trione Traditional Name: 1-[4-(3-chlorophenyl)sulfonylpiperazino]-7-(5-methyl-2-thienyl)heptane-1,4,7-trione Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S2/c1-16-5-9-21(31-16)20(27)8-6-18(26)7-10-22(28)24-11-13-25(14-12-24)32(29,30)19-4-2-3-17(23)15-19/h2-5,9,15H,6-8,10-14H2,1H3