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

Systemtic Name: (3S)-1-cyclopropyl-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-cyclopropyl-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-cyclopropyl-3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-cyclopropyl-3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-cyclopropyl-3-[4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C18H23N4O6S+ MolecularWeight: 423.46342

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6S/c1-29(27,28)13-4-5-14(15(10-13)22(25)26)19-6-8-20(9-7-19)16-11-17(23)21(18(16)24)12-2-3-12/h4-5,10,12,16H,2-3,6-9,11H2,1H3/p+1/t16-/m0/s1