(3S)-1-(4-ethanoylphenyl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-ethanoylphenyl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-acetylphenyl)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-acetylphenyl)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-acetylphenyl)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-acetylphenyl)-3-(4-besylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C22H24N3O5S+ MolecularWeight: 442.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S/c1-16(26)17-7-9-18(10-8-17)25-21(27)15-20(22(25)28)23-11-13-24(14-12-23)31(29,30)19-5-3-2-4-6-19/h2-10,20H,11-15H2,1H3/p+1/t20-/m0/s1