2-[ethyl-(4-methylsulfonyl-2-nitro-phenyl)amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[ethyl-(4-methylsulfonyl-2-nitro-phenyl)amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(N-ethyl-4-methylsulfonyl-2-nitro-anilino)-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-(N-ethyl-4-methylsulfonyl-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(N-ethyl-4-methylsulfonyl-2-nitroanilino)-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-(N-ethyl-4-mesyl-2-nitro-anilino)-N-(4-fluorobenzyl)acetamide Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O5S/c1-3-21(12-18(23)20-11-13-4-6-14(19)7-5-13)16-9-8-15(28(2,26)27)10-17(16)22(24)25/h4-10H,3,11-12H2,1-2H3,(H,20,23)