4-(2-chloranylethanoylamino)benzenesulfonic acid

Systemtic Name: 4-(2-chloranylethanoylamino)benzenesulfonic acid Openeye Name: 4-[(2-chloroacetyl)amino]benzenesulfonic acid CAS Name: 4-[(2-chloro-1-oxoethyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2-chloroacetyl)amino]benzenesulfonic acid Traditional Name: 4-[(2-chloroacetyl)amino]besylic acid Formula: C8H8ClNO4S MolecularWeight: 249.67142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCl)S(=O)(=O)O

InChI

InChI=1S/C8H8ClNO4S/c9-5-8(11)10-6-1-3-7(4-2-6)15(12,13)14/h1-4H,5H2,(H,10,11)(H,12,13,14)