3-[(3-sulfophenyl)carbonylamino]butanoic acid

Systemtic Name: 3-[(3-sulfophenyl)carbonylamino]butanoic acid Openeye Name: 3-[(3-sulfobenzoyl)amino]butanoic acid CAS Name: 3-[[oxo-(3-sulfophenyl)methyl]amino]butanoic acid IUPAC Name: 3-[(3-sulfobenzoyl)amino]butanoic acid Traditional Name: 3-[(3-sulfobenzoyl)amino]butyric acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(CC(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C11H13NO6S/c1-7(5-10(13)14)12-11(15)8-3-2-4-9(6-8)19(16,17)18/h2-4,6-7H,5H2,1H3,(H,12,15)(H,13,14)(H,16,17,18)