2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: 2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: 2-(3-bromo-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-bromo-N-methylsulfonylanilino)acetate IUPAC Name: 2-(3-bromo-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-bromo-N-mesyl-anilino)acetate Formula: C9H9BrNO4S- MolecularWeight: 307.14106

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)[O-])C1=CC(=CC=C1)Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)[O-])C1=CC(=CC=C1)Br

InChI

InChI=1S/C9H10BrNO4S/c1-16(14,15)11(6-9(12)13)8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,12,13)/p-1