ethyl 3-(butylsulfonylamino)-5-nitro-benzoate

Systemtic Name: ethyl 3-(butylsulfonylamino)-5-nitro-benzoate Openeye Name: ethyl 3-(butylsulfonylamino)-5-nitro-benzoate CAS Name: 3-(butylsulfonylamino)-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(butylsulfonylamino)-5-nitrobenzoate Traditional Name: 3-(butylsulfonylamino)-5-nitro-benzoic acid ethyl ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=CC(=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=CC(=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S/c1-3-5-6-22(19,20)14-11-7-10(13(16)21-4-2)8-12(9-11)15(17)18/h7-9,14H,3-6H2,1-2H3