3-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfonyl-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfonyl-4-chloranyl-benzoic acid Openeye Name: 3-[2-(tert-butylamino)-2-oxo-ethyl]sulfonyl-4-chloro-benzoic acid CAS Name: 3-[2-(tert-butylamino)-2-oxoethyl]sulfonyl-4-chlorobenzoic acid IUPAC Name: 3-[2-(tert-butylamino)-2-oxoethyl]sulfonyl-4-chlorobenzoic acid Traditional Name: 3-[2-(tert-butylamino)-2-keto-ethyl]sulfonyl-4-chloro-benzoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO5S/c1-13(2,3)15-11(16)7-21(19,20)10-6-8(12(17)18)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)