3-[[2,5-dimethyl-3-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[2,5-dimethyl-3-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[2,5-dimethyl-3-(p-tolylsulfonyl)phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid Traditional Name: 3-[(2,5-dimethyl-3-tosyl-phenyl)sulfonylamino]benzoic acid Formula: C22H21NO6S2 MolecularWeight: 459.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)C)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CC(=C2)C)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C22H21NO6S2/c1-14-7-9-19(10-8-14)30(26,27)20-11-15(2)12-21(16(20)3)31(28,29)23-18-6-4-5-17(13-18)22(24)25/h4-13,23H,1-3H3,(H,24,25)