3-(butylsulfamoyl)-5-nitro-4-phenoxy-benzoic acid

Systemtic Name: 3-(butylsulfamoyl)-5-nitro-4-phenoxy-benzoic acid Openeye Name: 3-(butylsulfamoyl)-5-nitro-4-phenoxy-benzoic acid CAS Name: 3-(butylsulfamoyl)-5-nitro-4-phenoxybenzoic acid IUPAC Name: 3-(butylsulfamoyl)-5-nitro-4-phenoxybenzoic acid Traditional Name: 3-(butylsulfamoyl)-5-nitro-4-phenoxy-benzoic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N2O7S/c1-2-3-9-18-27(24,25)15-11-12(17(20)21)10-14(19(22)23)16(15)26-13-7-5-4-6-8-13/h4-8,10-11,18H,2-3,9H2,1H3,(H,20,21)