4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C18H21NO4S/c1-10-11(2)13(4)17(14(5)12(10)3)24(22,23)19-16-8-6-15(7-9-16)18(20)21/h6-9,19H,1-5H3,(H,20,21)