3-[[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 3-[[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 3-[[4-[4-(p-tolylsulfonyl)phenyl]phenyl]sulfonylamino]benzoic acid CAS Name: 3-[[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 3-[[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 3-[[4-(4-tosylphenyl)phenyl]sulfonylamino]benzoic acid Formula: C26H21NO6S2 MolecularWeight: 507.57804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H21NO6S2/c1-18-5-11-23(12-6-18)34(30,31)24-13-7-19(8-14-24)20-9-15-25(16-10-20)35(32,33)27-22-4-2-3-21(17-22)26(28)29/h2-17,27H,1H3,(H,28,29)