4-[2,4-bis(methylsulfonyl)phenyl]piperazin-2-one

Systemtic Name: 4-[2,4-bis(methylsulfonyl)phenyl]piperazin-2-one Openeye Name: 4-[2,4-bis(methylsulfonyl)phenyl]piperazin-2-one CAS Name: 4-[2,4-bis(methylsulfonyl)phenyl]-2-piperazinone IUPAC Name: 4-[2,4-bis(methylsulfonyl)phenyl]piperazin-2-one Traditional Name: 4-(2,4-dimesylphenyl)piperazin-2-one Formula: C12H16N2O5S2 MolecularWeight: 332.39584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCNC(=O)C2)S(=O)(=O)C

InChI

InChI=1S/C12H16N2O5S2/c1-20(16,17)9-3-4-10(11(7-9)21(2,18)19)14-6-5-13-12(15)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)