4-bromanyl-N-(3-methylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-(3-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-bromo-N-(3-methylsulfonylphenyl)-3-nitro-benzamide CAS Name: 4-bromo-N-(3-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-bromo-N-(3-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(3-mesylphenyl)-3-nitro-benzamide Formula: C14H11BrN2O5S MolecularWeight: 399.21654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H11BrN2O5S/c1-23(21,22)11-4-2-3-10(8-11)16-14(18)9-5-6-12(15)13(7-9)17(19)20/h2-8H,1H3,(H,16,18)