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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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