N,N-diethyl-4-(4-methylsulfanylphenoxy)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(4-methylsulfanylphenoxy)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(4-methylsulfanylphenoxy)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-(methylthio)phenoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-methylsulfanylphenoxy)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(methylthio)phenoxy]-3-nitro-benzenesulfonamide Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5S2/c1-4-18(5-2)26(22,23)15-10-11-17(16(12-15)19(20)21)24-13-6-8-14(25-3)9-7-13/h6-12H,4-5H2,1-3H3