3-(butylsulfamoyl)-4-chloranyl-5-nitro-benzoate

Systemtic Name: 3-(butylsulfamoyl)-4-chloranyl-5-nitro-benzoate Openeye Name: 3-(butylsulfamoyl)-4-chloro-5-nitro-benzoate CAS Name: 3-(butylsulfamoyl)-4-chloro-5-nitrobenzoate IUPAC Name: 3-(butylsulfamoyl)-4-chloro-5-nitrobenzoate Traditional Name: 3-(butylsulfamoyl)-4-chloro-5-nitro-benzoate Formula: C11H12ClN2O6S- MolecularWeight: 335.74078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13ClN2O6S/c1-2-3-4-13-21(19,20)9-6-7(11(15)16)5-8(10(9)12)14(17)18/h5-6,13H,2-4H2,1H3,(H,15,16)/p-1