4-[[4-(cyanomethyl)phenyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[4-(cyanomethyl)phenyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(cyanomethyl)anilino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(cyanomethyl)anilino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(cyanomethyl)anilino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(cyanomethyl)anilino]-N,N-diethyl-3-nitro-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)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

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