4-(2-cyanoethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(2-cyanoethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(2-cyanoethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(2-cyanoethoxy)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-cyanoethoxy)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(2-cyanoethoxy)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5S/c1-3-15(4-2)22(19,20)11-6-7-13(21-9-5-8-14)12(10-11)16(17)18/h6-7,10H,3-5,9H2,1-2H3