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

Systemtic Name: (3S)-1-phenyl-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-besylpiperazin-1-ium-1-yl)-1-phenyl-pyrrolidine-2,5-quinone Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c24-19-15-18(20(25)23(19)16-7-3-1-4-8-16)21-11-13-22(14-12-21)28(26,27)17-9-5-2-6-10-17/h1-10,18H,11-15H2/p+1/t18-/m0/s1