4-[(4-ethyl-3-nitro-phenyl)sulfamoyl]butanoic acid

Systemtic Name: 4-[(4-ethyl-3-nitro-phenyl)sulfamoyl]butanoic acid Openeye Name: 4-[(4-ethyl-3-nitro-phenyl)sulfamoyl]butanoic acid CAS Name: 4-[(4-ethyl-3-nitrophenyl)sulfamoyl]butanoic acid IUPAC Name: 4-[(4-ethyl-3-nitrophenyl)sulfamoyl]butanoic acid Traditional Name: 4-[(4-ethyl-3-nitro-phenyl)sulfamoyl]butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NS(=O)(=O)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NS(=O)(=O)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-2-9-5-6-10(8-11(9)14(17)18)13-21(19,20)7-3-4-12(15)16/h5-6,8,13H,2-4,7H2,1H3,(H,15,16)