2-[(3-sulfophenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-[(3-sulfophenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(3-sulfobenzoyl)amino]pentanoic acid CAS Name: 2-[[oxo-(3-sulfophenyl)methyl]amino]pentanoic acid IUPAC Name: 2-[(3-sulfobenzoyl)amino]pentanoic acid Traditional Name: 2-[(3-sulfobenzoyl)amino]valeric acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-2-4-10(12(15)16)13-11(14)8-5-3-6-9(7-8)20(17,18)19/h3,5-7,10H,2,4H2,1H3,(H,13,14)(H,15,16)(H,17,18,19)