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

Systemtic Name: (3S)-1-(3-methoxyphenyl)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-methoxyphenyl)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-methoxyphenyl)-3-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-methoxyphenyl)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-methoxyphenyl)-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H23N4O7S+ MolecularWeight: 475.49492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-32-16-6-4-5-15(13-16)24-20(26)14-18(21(24)27)22-9-11-23(12-10-22)33(30,31)19-8-3-2-7-17(19)25(28)29/h2-8,13,18H,9-12,14H2,1H3/p+1/t18-/m0/s1