3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-(cyclopropylamino)-2-oxoethyl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3-[2-(cyclopropylamino)-2-keto-ethyl]sulfonyl-4,5-dimethyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC(=O)NC2CC2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC(=O)NC2CC2)C

InChI

InChI=1S/C14H17NO5S/c1-8-5-10(14(17)18)6-12(9(8)2)21(19,20)7-13(16)15-11-3-4-11/h5-6,11H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)