2-acetamido-5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzenesulfonic acid

Systemtic Name: 2-acetamido-5-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]benzenesulfonic acid Openeye Name: 2-acetamido-5-[(4-chloro-3-nitro-phenyl)sulfonylamino]benzenesulfonic acid CAS Name: 2-acetamido-5-[(4-chloro-3-nitrophenyl)sulfonylamino]benzenesulfonic acid IUPAC Name: 2-acetamido-5-[(4-chloro-3-nitrophenyl)sulfonylamino]benzenesulfonic acid Traditional Name: 2-acetamido-5-[(4-chloro-3-nitro-phenyl)sulfonylamino]besylic acid Formula: C14H12ClN3O8S2 MolecularWeight: 449.84338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C14H12ClN3O8S2/c1-8(19)16-12-5-2-9(6-14(12)28(24,25)26)17-27(22,23)10-3-4-11(15)13(7-10)18(20)21/h2-7,17H,1H3,(H,16,19)(H,24,25,26)