4-chloranyl-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(2-cyanoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2-cyanoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide Formula: C9H8ClN3O4S MolecularWeight: 289.69552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCC#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCC#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H8ClN3O4S/c10-8-3-2-7(6-9(8)13(14)15)18(16,17)12-5-1-4-11/h2-3,6,12H,1,5H2