3-ethylsulfonyloxy-2-(propylcarbamoyl)benzoic acid

Systemtic Name: 3-ethylsulfonyloxy-2-(propylcarbamoyl)benzoic acid Openeye Name: 3-ethylsulfonyloxy-2-(propylcarbamoyl)benzoic acid CAS Name: 3-ethylsulfonyloxy-2-[oxo(propylamino)methyl]benzoic acid IUPAC Name: 3-ethylsulfonyloxy-2-(propylcarbamoyl)benzoic acid Traditional Name: 3-esyloxy-2-(propylcarbamoyl)benzoic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)CC)C(=O)O

Isomeric SMILES

CCCNC(=O)C1=C(C=CC=C1OS(=O)(=O)CC)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-3-8-14-12(15)11-9(13(16)17)6-5-7-10(11)20-21(18,19)4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)(H,16,17)