N,N-diethyl-4-(2-methylsulfanylethoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(2-methylsulfanylethoxy)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(2-methylsulfanylethoxy)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(methylthio)ethoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(2-methylsulfanylethoxy)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(methylthio)ethoxy]-3-nitro-benzenesulfonamide Formula: C13H20N2O5S2 MolecularWeight: 348.4383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O5S2/c1-4-14(5-2)22(18,19)11-6-7-13(20-8-9-21-3)12(10-11)15(16)17/h6-7,10H,4-5,8-9H2,1-3H3