N-(4-azanyl-2-methylsulfanyl-5-nitro-phenyl)-N-(2-bromoethyl)benzenesulfonamide

Systemtic Name: N-(4-azanyl-2-methylsulfanyl-5-nitro-phenyl)-N-(2-bromoethyl)benzenesulfonamide Openeye Name: N-(4-amino-2-methylsulfanyl-5-nitro-phenyl)-N-(2-bromoethyl)benzenesulfonamide CAS Name: N-[4-amino-2-(methylthio)-5-nitrophenyl]-N-(2-bromoethyl)benzenesulfonamide IUPAC Name: N-(4-amino-2-methylsulfanyl-5-nitrophenyl)-N-(2-bromoethyl)benzenesulfonamide Traditional Name: N-[4-amino-2-(methylthio)-5-nitro-phenyl]-N-(2-bromoethyl)benzenesulfonamide Formula: C15H16BrN3O4S2 MolecularWeight: 446.33924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1N(CCBr)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CSC1=CC(=C(C=C1N(CCBr)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H16BrN3O4S2/c1-24-15-9-12(17)13(19(20)21)10-14(15)18(8-7-16)25(22,23)11-5-3-2-4-6-11/h2-6,9-10H,7-8,17H2,1H3