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

Systemtic Name: 4-[[2,5-dimethyl-3-(4-methylphenyl)sulfonyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[2,5-dimethyl-3-(p-tolylsulfonyl)phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[2,5-dimethyl-3-(4-methylphenyl)sulfonylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[(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=C(C=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=C(C=C3)C(=O)O)C

InChI

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