2-[N-(4-methylphenyl)sulfonyl-S-(2,4,6-trimethylphenyl)sulfonimidoyl]ethanoic acid

Systemtic Name: 2-[N-(4-methylphenyl)sulfonyl-S-(2,4,6-trimethylphenyl)sulfonimidoyl]ethanoic acid Openeye Name: 2-[N-(p-tolylsulfonyl)-S-(2,4,6-trimethylphenyl)sulfonimidoyl]acetic acid CAS Name: 2-[N-(4-methylphenyl)sulfonyl-S-(2,4,6-trimethylphenyl)sulfonimidoyl]acetic acid IUPAC Name: 2-[N-(4-methylphenyl)sulfonyl-S-(2,4,6-trimethylphenyl)sulfonimidoyl]acetic acid Traditional Name: 2-(S-mesityl-N-tosyl-sulfonimidoyl)acetic acid Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC(=O)O)C2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(=O)(CC(=O)O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H21NO5S2/c1-12-5-7-16(8-6-12)26(23,24)19-25(22,11-17(20)21)18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H,20,21)