phenyl 2-hexyl-4-[S-methyl-N-(4-methylphenyl)sulfonyl-sulfonimidoyl]benzoate

Systemtic Name: phenyl 2-hexyl-4-[S-methyl-N-(4-methylphenyl)sulfonyl-sulfonimidoyl]benzoate Openeye Name: phenyl 2-hexyl-4-[S-methyl-N-(p-tolylsulfonyl)sulfonimidoyl]benzoate CAS Name: 2-hexyl-4-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]benzoic acid phenyl ester IUPAC Name: phenyl 2-hexyl-4-[S-methyl-N-(4-methylphenyl)sulfonylsulfonimidoyl]benzoate Traditional Name: 2-hexyl-4-(S-methyl-N-tosyl-sulfonimidoyl)benzoic acid phenyl ester Formula: C27H31NO5S2 MolecularWeight: 513.66874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)(=O)C)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)(=O)C)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H31NO5S2/c1-4-5-6-8-11-22-20-25(18-19-26(22)27(29)33-23-12-9-7-10-13-23)34(3,30)28-35(31,32)24-16-14-21(2)15-17-24/h7,9-10,12-20H,4-6,8,11H2,1-3H3