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

Systemtic Name: 2-chloranyl-2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-ethanoic acid Openeye Name: 2-chloro-2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-acetic acid CAS Name: 2-chloro-2-[4-[(2,2-dimethyl-1-oxobutyl)amino]phenyl]sulfonylacetic acid IUPAC Name: 2-chloro-2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonylacetic acid Traditional Name: 2-chloro-2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfonyl-acetic acid Formula: C14H18ClNO5S MolecularWeight: 347.81442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO5S/c1-4-14(2,3)13(19)16-9-5-7-10(8-6-9)22(20,21)11(15)12(17)18/h5-8,11H,4H2,1-3H3,(H,16,19)(H,17,18)