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

Systemtic Name: 4-(2-cyanoethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(2-cyanoethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(2-cyanoethylamino)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(2-cyanoethylamino)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(2-cyanoethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-3-16(4-2)22(20,21)11-6-7-12(15-9-5-8-14)13(10-11)17(18)19/h6-7,10,15H,3-5,9H2,1-2H3