4-[[(2-cyano-4-nitro-phenyl)amino]methyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[(2-cyano-4-nitro-phenyl)amino]methyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(2-cyano-4-nitro-anilino)methyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(2-cyano-4-nitroanilino)methyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(2-cyano-4-nitroanilino)methyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(2-cyano-4-nitro-anilino)methyl]-N,N-diethyl-benzenesulfonamide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H20N4O4S/c1-3-21(4-2)27(25,26)17-8-5-14(6-9-17)13-20-18-10-7-16(22(23)24)11-15(18)12-19/h5-11,20H,3-4,13H2,1-2H3