2-azanyl-4-[(2-chloranylethanoylamino)methyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(2-chloranylethanoylamino)methyl]benzenesulfonic acid Openeye Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]benzenesulfonic acid CAS Name: 2-amino-4-[[(2-chloro-1-oxoethyl)amino]methyl]benzenesulfonic acid IUPAC Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]benzenesulfonic acid Traditional Name: 2-amino-4-[[(2-chloroacetyl)amino]methyl]besylic acid Formula: C9H11ClN2O4S MolecularWeight: 278.71264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC(=O)CCl)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC(=O)CCl)N)S(=O)(=O)O

InChI

InChI=1S/C9H11ClN2O4S/c10-4-9(13)12-5-6-1-2-8(7(11)3-6)17(14,15)16/h1-3H,4-5,11H2,(H,12,13)(H,14,15,16)