N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C19H22FN3O5S2 MolecularWeight: 455.523483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C

InChI

InChI=1S/C19H22FN3O5S2/c1-14-7-8-16(23(25)26)11-18(14)22(30(2,27)28)12-19(24)21-9-10-29-13-15-5-3-4-6-17(15)20/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)