3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methyl-benzoic acid Openeye Name: 4-methyl-3-[2-oxo-2-(sec-butylamino)ethyl]sulfonyl-benzoic acid CAS Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[2-keto-2-(sec-butylamino)ethyl]sulfonyl-4-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-4-10(3)15-13(16)8-21(19,20)12-7-11(14(17)18)6-5-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16)(H,17,18)