1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-(2-thienyl)butane-1,4-dione Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O4S2/c1-15-5-6-16(2)19(14-15)28(25,26)22-11-9-21(10-12-22)20(24)8-7-17(23)18-4-3-13-27-18/h3-6,13-14H,7-12H2,1-2H3