5-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]sulfonyl-2-methyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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