2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoic acid Openeye Name: 2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetic acid CAS Name: 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetic acid IUPAC Name: 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetic acid Traditional Name: 2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetic acid Formula: C12H16ClNO5S MolecularWeight: 321.77714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)OCC)Cl

Isomeric SMILES

CCN(CC(=O)O)S(=O)(=O)C1=CC(=C(C=C1)OCC)Cl

InChI

InChI=1S/C12H16ClNO5S/c1-3-14(8-12(15)16)20(17,18)9-5-6-11(19-4-2)10(13)7-9/h5-7H,3-4,8H2,1-2H3,(H,15,16)