3-ethylsulfonyloxy-2-(propan-2-ylcarbamoyl)benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)NC(C)C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)NC(C)C)C(=O)O

InChI

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