N,N-diethyl-4-[(4-methylsulfanylphenyl)methoxy]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(4-methylsulfanylphenyl)methoxy]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(4-methylsulfanylphenyl)methoxy]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-(methylthio)phenyl]methoxy]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(4-methylsulfanylphenyl)methoxy]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(methylthio)benzyl]oxy-3-nitro-benzenesulfonamide Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S2/c1-4-19(5-2)27(23,24)16-10-11-18(17(12-16)20(21)22)25-13-14-6-8-15(26-3)9-7-14/h6-12H,4-5,13H2,1-3H3