2-[[4-(bromomethyl)phenyl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[4-(bromomethyl)phenyl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[4-(bromomethyl)benzoyl]amino]ethanesulfonic acid CAS Name: 2-[[[4-(bromomethyl)phenyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[4-(bromomethyl)benzoyl]amino]ethanesulfonic acid Traditional Name: 2-[[4-(bromomethyl)benzoyl]amino]ethanesulfonic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CBr)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CBr)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C10H12BrNO4S/c11-7-8-1-3-9(4-2-8)10(13)12-5-6-17(14,15)16/h1-4H,5-7H2,(H,12,13)(H,14,15,16)