1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-(4-methylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-mesylpiperazino)-4-[4-(2-methoxyphenyl)piperazino]butane-1,4-dione Formula: C20H30N4O5S MolecularWeight: 438.541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O5S/c1-29-18-6-4-3-5-17(18)21-9-11-22(12-10-21)19(25)7-8-20(26)23-13-15-24(16-14-23)30(2,27)28/h3-6H,7-16H2,1-2H3