(3S)-1-(2,4-dimethylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(2,4-dimethylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,4-dimethylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,4-dimethylphenyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C26H28N3O4S+ MolecularWeight: 478.58322

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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=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C26H27N3O4S/c1-18-7-10-23(19(2)15-18)29-25(30)17-24(26(29)31)27-11-13-28(14-12-27)34(32,33)22-9-8-20-5-3-4-6-21(20)16-22/h3-10,15-16,24H,11-14,17H2,1-2H3/p+1/t24-/m0/s1