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

Systemtic Name: N-(4-bromophenyl)-4-chloranyl-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-bromophenyl)-4-chloro-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide CAS Name: N-(4-bromophenyl)-4-chloro-N-(2-cyanoethyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-bromophenyl)-4-chloro-N-(2-cyanoethyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-bromophenyl)-4-chloro-N-(2-cyanoethyl)-3-nitro-benzenesulfonamide Formula: C15H11BrClN3O4S MolecularWeight: 444.68754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1N(CCC#N)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C15H11BrClN3O4S/c16-11-2-4-12(5-3-11)19(9-1-8-18)25(23,24)13-6-7-14(17)15(10-13)20(21)22/h2-7,10H,1,9H2