1-(2,5-dimethylthiophen-3-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(2,5-dimethyl-3-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(2,5-dimethyl-3-thienyl)butane-1,4-dione Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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