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

Systemtic Name: (3S)-1-(4-methylphenyl)-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methylphenyl)-3-[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methylphenyl)-3-[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-nosylpiperazin-1-ium-1-yl)-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C21H23N4O6S+ MolecularWeight: 459.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-15-2-4-16(5-3-15)24-20(26)14-19(21(24)27)22-10-12-23(13-11-22)32(30,31)18-8-6-17(7-9-18)25(28)29/h2-9,19H,10-14H2,1H3/p+1/t19-/m0/s1