4-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[5-(4-chlorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[5-(4-chlorophenyl)sulfonyl-2-methyl-phenyl]sulfonylamino]benzoic acid Formula: C20H16ClNO6S2 MolecularWeight: 465.92714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO6S2/c1-13-2-9-18(29(25,26)17-10-5-15(21)6-11-17)12-19(13)30(27,28)22-16-7-3-14(4-8-16)20(23)24/h2-12,22H,1H3,(H,23,24)