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

Systemtic Name: 4-chloranyl-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N,N-bis(2-cyanoethyl)-3-nitro-benzenesulfonamide Formula: C12H11ClN4O4S MolecularWeight: 342.75814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN4O4S/c13-11-4-3-10(9-12(11)17(18)19)22(20,21)16(7-1-5-14)8-2-6-15/h3-4,9H,1-2,7-8H2