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

Systemtic Name: 3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4-ethyl-benzoic acid CAS Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-4-ethylbenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-ethyl]sulfonyl-4-ethyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NC2CC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NC2CC2

InChI

InChI=1S/C14H17NO5S/c1-2-9-3-4-10(14(17)18)7-12(9)21(19,20)8-13(16)15-11-5-6-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)