1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]-4-(2-thienyl)butane-1,4-dione Formula: C22H28N2O4S2 MolecularWeight: 448.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3)C)C

InChI

InChI=1S/C22H28N2O4S2/c1-15-14-16(2)18(4)22(17(15)3)30(27,28)24-11-9-23(10-12-24)21(26)8-7-19(25)20-6-5-13-29-20/h5-6,13-14H,7-12H2,1-4H3