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

Systemtic Name: (3S)-1-(4-nitrophenyl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-besylpiperazin-1-ium-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-quinone Formula: C20H21N4O6S+ MolecularWeight: 445.46894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O6S/c25-19-14-18(20(26)23(19)15-6-8-16(9-7-15)24(27)28)21-10-12-22(13-11-21)31(29,30)17-4-2-1-3-5-17/h1-9,18H,10-14H2/p+1/t18-/m0/s1