3-[ethyl-[(3-sulfophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[ethyl-[(3-sulfophenyl)methyl]amino]propanoic acid Openeye Name: 3-[ethyl-[(3-sulfophenyl)methyl]amino]propanoic acid CAS Name: 3-[ethyl-[(3-sulfophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[ethyl-[(3-sulfophenyl)methyl]amino]propanoic acid Traditional Name: 3-[ethyl-(3-sulfobenzyl)amino]propionic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)CC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CCC(=O)O)CC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C12H17NO5S/c1-2-13(7-6-12(14)15)9-10-4-3-5-11(8-10)19(16,17)18/h3-5,8H,2,6-7,9H2,1H3,(H,14,15)(H,16,17,18)