N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-3-nitro-benzamide

Systemtic Name: N-[2-(4-bromanylphenoxy)ethyl]-N-methyl-4-methylsulfonyl-3-nitro-benzamide Openeye Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-methylsulfonyl-3-nitro-benzamide CAS Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-methylsulfonyl-3-nitrobenzamide IUPAC Name: N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-methylsulfonyl-3-nitrobenzamide Traditional Name: N-[2-(4-bromophenoxy)ethyl]-4-mesyl-N-methyl-3-nitro-benzamide Formula: C17H17BrN2O6S MolecularWeight: 457.29568

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN2O6S/c1-19(9-10-26-14-6-4-13(18)5-7-14)17(21)12-3-8-16(27(2,24)25)15(11-12)20(22)23/h3-8,11H,9-10H2,1-2H3