1-thiophen-2-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-thiophen-2-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2-thienyl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-thiophen-2-yl-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-thiophen-2-yl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-mesitylsulfonylpiperazino)-4-(2-thienyl)butane-1,4-dione Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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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)C

Isomeric SMILES

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

InChI

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