N-tert-butyl-4-(2-cyanoethylamino)-3-nitro-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-13(2,3)16-22(20,21)10-5-6-11(15-8-4-7-14)12(9-10)17(18)19/h5-6,9,15-16H,4,8H2,1-3H3