5-[[3-(butylsulfamoyl)phenyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[3-(butylsulfamoyl)phenyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[3-(butylsulfamoyl)phenyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[3-(butylsulfamoyl)anilino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[3-(butylsulfamoyl)phenyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[[3-(butylsulfamoyl)phenyl]carbamoyl]-2-nitro-phenolate Formula: C17H18N3O6S- MolecularWeight: 392.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-2-3-9-18-27(25,26)14-6-4-5-13(11-14)19-17(22)12-7-8-15(20(23)24)16(21)10-12/h4-8,10-11,18,21H,2-3,9H2,1H3,(H,19,22)/p-1