3-[[3-[2-(4-methylphenyl)sulfonylethylsulfanyl]phenyl]carbonylamino]benzoate

Systemtic Name: 3-[[3-[2-(4-methylphenyl)sulfonylethylsulfanyl]phenyl]carbonylamino]benzoate Openeye Name: 3-[[3-[2-(p-tolylsulfonyl)ethylsulfanyl]benzoyl]amino]benzoate CAS Name: 3-[[[3-[2-(4-methylphenyl)sulfonylethylthio]phenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoyl]amino]benzoate Traditional Name: 3-[[3-(2-tosylethylthio)benzoyl]amino]benzoate Formula: C23H20NO5S2- MolecularWeight: 454.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H21NO5S2/c1-16-8-10-21(11-9-16)31(28,29)13-12-30-20-7-3-4-17(15-20)22(25)24-19-6-2-5-18(14-19)23(26)27/h2-11,14-15H,12-13H2,1H3,(H,24,25)(H,26,27)/p-1