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

Systemtic Name: 4-[4-(cyanomethyl)phenoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(cyanomethyl)phenoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(cyanomethyl)phenoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(cyanomethyl)phenoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(cyanomethyl)phenoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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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)CC#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-3-20(4-2)27(24,25)16-9-10-18(17(13-16)21(22)23)26-15-7-5-14(6-8-15)11-12-19/h5-10,13H,3-4,11H2,1-2H3