[4-[S-methyl-N-(4-methylphenyl)sulfonyl-sulfonimidoyl]phenyl] octanoate

Systemtic Name: [4-[S-methyl-N-(4-methylphenyl)sulfonyl-sulfonimidoyl]phenyl] octanoate Openeye Name: [4-[S-methyl-N-(p-tolylsulfonyl)sulfonimidoyl]phenyl] octanoate CAS Name: octanoic acid [4-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]phenyl] ester IUPAC Name: [4-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]phenyl] octanoate Traditional Name: caprylic acid [4-(S-methyl-N-tosyl-sulfonimidoyl)phenyl] ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)(=O)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)(=O)C

InChI

InChI=1S/C22H29NO5S2/c1-4-5-6-7-8-9-22(24)28-19-12-16-20(17-13-19)29(3,25)23-30(26,27)21-14-10-18(2)11-15-21/h10-17H,4-9H2,1-3H3