2-[[3-[(2,5-dimethylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[(2,5-dimethylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-[(2,5-dimethylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[(2,5-dimethylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[(2,5-dimethylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-[(2,5-dimethylphenyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20N2O6S2/c1-14-10-11-15(2)20(12-14)31(28,29)22-16-6-5-7-17(13-16)30(26,27)23-19-9-4-3-8-18(19)21(24)25/h3-13,22-23H,1-2H3,(H,24,25)