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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]butane-1,4-dione Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H23ClN2O4S2/c1-14-3-6-18(15(2)13-14)29(26,27)23-11-9-22(10-12-23)20(25)8-4-16(24)17-5-7-19(21)28-17/h3,5-7,13H,4,8-12H2,1-2H3