2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-phenyl-ethanoic acid Openeye Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-phenyl-acetic acid CAS Name: 2-[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]sulfonyl-2-phenylacetic acid IUPAC Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-phenylacetic acid Traditional Name: 2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-2-phenyl-acetic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO5S/c1-4-20(2,3)19(24)21-15-10-12-16(13-11-15)27(25,26)17(18(22)23)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3,(H,21,24)(H,22,23)