2-methoxy-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 2-methoxy-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 5-[2-(isopropylamino)-2-oxo-ethyl]sulfonyl-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 2-methoxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-[2-(isopropylamino)-2-keto-ethyl]sulfonyl-2-methoxy-benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-8(2)14-12(15)7-21(18,19)9-4-5-11(20-3)10(6-9)13(16)17/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17)