4-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1-oxidanylidene-1-(propylamino)propan-2-yl]sulfonylbenzoic acid Openeye Name: 4-[1-methyl-2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid CAS Name: 4-[1-oxo-1-(propylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-[1-oxo-1-(propylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 4-[2-keto-1-methyl-2-(propylamino)ethyl]sulfonylbenzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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