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methyl 4-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]butanoate

methyl 4-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]butanoate

Systemtic Name:methyl 4-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]butanoate
Openeye Name:methyl 4-[4-(methylsulfamoyl)-2-nitro-anilino]butanoate
CAS Name:4-[4-(methylsulfamoyl)-2-nitroanilino]butanoic acid methyl ester
IUPAC Name:methyl 4-[4-(methylsulfamoyl)-2-nitroanilino]butanoate
Traditional Name:4-[4-(methylsulfamoyl)-2-nitro-anilino]butyric acid methyl ester
Formula: C12H17N3O6S
MolecularWeight: 331.34488
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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC(=O)OC)[N+](=O)[O-]


Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C12H17N3O6S/c1-13-22(19,20)9-5-6-10(11(8-9)15(17)18)14-7-3-4-12(16)21-2/h5-6,8,13-14H,3-4,7H2,1-2H3


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