N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide Openeye Name: N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide CAS Name: N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide IUPAC Name: N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide Traditional Name: N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c13-6-2-8-15(9-3-7-14)21(19,20)12-5-1-4-11(10-12)16(17)18/h1,4-5,10H,2-3,8-9H2