3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-ethyl]sulfonyl-4-methoxy-benzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NC2CC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NC2CC2

InChI

InChI=1S/C13H15NO6S/c1-20-10-5-2-8(13(16)17)6-11(10)21(18,19)7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,15)(H,16,17)