3,5-bis(fluoranyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 3,5-bis(fluoranyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3,5-difluoro-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3,5-difluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3,5-difluoro-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 3,5-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(=CC(=C2)F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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