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methyl 3-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoate

methyl 3-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoate

Systemtic Name:methyl 3-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoate
Openeye Name:methyl 3-[4-(diethylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoate
CAS Name:3-[[4-(diethylsulfamoyl)-2-nitrophenyl]thio]propanoic acid methyl ester
IUPAC Name:methyl 3-[4-(diethylsulfamoyl)-2-nitrophenyl]sulfanylpropanoate
Traditional Name:3-[[4-(diethylsulfamoyl)-2-nitro-phenyl]thio]propionic acid methyl ester
Formula: C14H20N2O6S2
MolecularWeight: 376.4484
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCCC(=O)OC)[N+](=O)[O-]


Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SCCC(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C14H20N2O6S2/c1-4-15(5-2)24(20,21)11-6-7-13(12(10-11)16(18)19)23-9-8-14(17)22-3/h6-7,10H,4-5,8-9H2,1-3H3


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