3,4-bis(fluoranyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 3,4-bis(fluoranyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3,4-difluoro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3,4-difluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3,4-difluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 3,4-difluoro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]benzamide Formula: C16H15F2N3O5S MolecularWeight: 399.369206

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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)F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2N3O5S/c1-27(25,26)11-3-5-14(15(9-11)21(23)24)19-6-7-20-16(22)10-2-4-12(17)13(18)8-10/h2-5,8-9,19H,6-7H2,1H3,(H,20,22)