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

Systemtic Name: 4-[[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[3-(4-chlorophenyl)sulfonyl-2,5-dimethylphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[3-(4-chlorophenyl)sulfonyl-2,5-dimethylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylamino]benzoic acid Formula: C21H18ClNO6S2 MolecularWeight: 479.95372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO6S2/c1-13-11-19(30(26,27)18-9-5-16(22)6-10-18)14(2)20(12-13)31(28,29)23-17-7-3-15(4-8-17)21(24)25/h3-12,23H,1-2H3,(H,24,25)