4-[2-(4-bromanylphenoxy)ethylsulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(4-bromanylphenoxy)ethylsulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(4-bromophenoxy)ethylsulfanyl]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(4-bromophenoxy)ethylthio]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(4-bromophenoxy)ethylsulfanyl]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-bromophenoxy)ethylthio]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCCOC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H21BrN2O5S2/c1-18(2,3)20-28(24,25)15-8-9-17(16(12-15)21(22)23)27-11-10-26-14-6-4-13(19)5-7-14/h4-9,12,20H,10-11H2,1-3H3