methyl 3-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-benzoate

Systemtic Name: methyl 3-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-3-(p-tolylsulfonyl)-5-(p-tolylsulfonylamino)benzoate CAS Name: 2-hydroxy-3-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-hydroxy-3-tosyl-5-(tosylamino)benzoic acid methyl ester Formula: C22H21NO7S2 MolecularWeight: 475.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)O

InChI

InChI=1S/C22H21NO7S2/c1-14-4-8-17(9-5-14)31(26,27)20-13-16(12-19(21(20)24)22(25)30-3)23-32(28,29)18-10-6-15(2)7-11-18/h4-13,23-24H,1-3H3