4-[[4-(2,2-dimethylpropanoyl)phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[[4-(2,2-dimethylpropanoyl)phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzenesulfonic acid CAS Name: 4-[[[4-(2,2-dimethyl-1-oxopropyl)phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(2,2-dimethylpropanoyl)benzoyl]amino]benzenesulfonic acid Traditional Name: 4-[(4-pivaloylbenzoyl)amino]besylic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C18H19NO5S/c1-18(2,3)16(20)12-4-6-13(7-5-12)17(21)19-14-8-10-15(11-9-14)25(22,23)24/h4-11H,1-3H3,(H,19,21)(H,22,23,24)