2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: 2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: 2-(4-iodo-N-methylsulfonyl-anilino)acetate CAS Name: 2-(4-iodo-N-methylsulfonylanilino)acetate IUPAC Name: 2-(4-iodo-N-methylsulfonylanilino)acetate Traditional Name: 2-(4-iodo-N-mesyl-anilino)acetate Formula: C9H9INO4S- MolecularWeight: 354.14153

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)[O-])C1=CC=C(C=C1)I

Isomeric SMILES

CS(=O)(=O)N(CC(=O)[O-])C1=CC=C(C=C1)I

InChI

InChI=1S/C9H10INO4S/c1-16(14,15)11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)/p-1