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

Systemtic Name: methyl 3-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(isopropylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoate CAS Name: 3-[[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[4-(isopropylsulfamoyl)-2-nitro-phenyl]thio]propionic acid methyl ester Formula: C13H18N2O6S2 MolecularWeight: 362.42182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S2/c1-9(2)14-23(19,20)10-4-5-12(11(8-10)15(17)18)22-7-6-13(16)21-3/h4-5,8-9,14H,6-7H2,1-3H3