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

Systemtic Name: 4-methyl-3-[2-oxidanylidene-2-(propylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 4-methyl-3-[2-oxo-2-(propylamino)ethyl]sulfonyl-benzoic acid CAS Name: 4-methyl-3-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-2-(propylamino)ethyl]sulfonyl-4-methyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCCNC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C13H17NO5S/c1-3-6-14-12(15)8-20(18,19)11-7-10(13(16)17)5-4-9(11)2/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)(H,16,17)