4-[2-(3-bromanylphenoxy)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(3-bromanylphenoxy)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(3-bromophenoxy)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(3-bromophenoxy)ethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(3-bromophenoxy)ethoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(3-bromophenoxy)ethoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H21BrN2O6S MolecularWeight: 473.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCOC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCCOC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H21BrN2O6S/c1-3-20(4-2)28(24,25)16-8-9-18(17(13-16)21(22)23)27-11-10-26-15-7-5-6-14(19)12-15/h5-9,12-13H,3-4,10-11H2,1-2H3