3-[(2-ethylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(2-ethylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2-ethylsulfonylbenzoyl)amino]butanoic acid CAS Name: 3-[[(2-ethylsulfonylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2-ethylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 3-[(2-esylbenzoyl)amino]butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC(C)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC(C)CC(=O)O

InChI

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