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

Systemtic Name: (3S)-1-(3-ethanoylphenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-acetylphenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-acetylphenyl)-3-[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-acetylphenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-acetylphenyl)-3-(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C24H28N3O6S+ MolecularWeight: 486.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C24H27N3O6S/c1-3-33-20-7-9-21(10-8-20)34(31,32)26-13-11-25(12-14-26)22-16-23(29)27(24(22)30)19-6-4-5-18(15-19)17(2)28/h4-10,15,22H,3,11-14,16H2,1-2H3/p+1/t22-/m0/s1