1-(2,5-dimethylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(2,5-dimethylphenyl)-4-[4-(2-thienylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethylphenyl)-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(2,5-dimethylphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(2-thienylsulfonyl)piperazino]butane-1,4-dione Formula: C20H24N2O4S2 MolecularWeight: 420.54556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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