3-[2-(4-tert-butylphenyl)sulfonyloxyethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[2-(4-tert-butylphenyl)sulfonyloxyethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 3-[[2-(4-tert-butylphenyl)sulfonyloxyacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 3-[[2-(4-tert-butylphenyl)sulfonyloxy-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 3-[[2-(4-tert-butylphenyl)sulfonyloxyacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 3-[[2-(4-tert-butylphenyl)sulfonyloxyacetyl]amino]-2-hydroxy-benzoic acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC=CC(=C2O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCC(=O)NC2=CC=CC(=C2O)C(=O)O

InChI

InChI=1S/C19H21NO7S/c1-19(2,3)12-7-9-13(10-8-12)28(25,26)27-11-16(21)20-15-6-4-5-14(17(15)22)18(23)24/h4-10,22H,11H2,1-3H3,(H,20,21)(H,23,24)