1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-tosylpiperazino)butane-1,4-dione Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-15-4-6-18(7-5-15)29(26,27)23-12-10-22(11-13-23)21(25)9-8-20(24)19-14-16(2)28-17(19)3/h4-7,14H,8-13H2,1-3H3