4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 4-[2-(isopropylamino)-2-keto-ethyl]sulfonylbenzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-8(2)13-11(14)7-19(17,18)10-5-3-9(4-6-10)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)