4-bromanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 4-bromo-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 4-bromo-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 4-bromo-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 4-bromo-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C16H16BrN3O5S MolecularWeight: 442.28434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O5S/c1-26(24,25)13-6-7-14(15(10-13)20(22)23)18-8-9-19-16(21)11-2-4-12(17)5-3-11/h2-7,10,18H,8-9H2,1H3,(H,19,21)