N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(2-furylmethylsulfanyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(2-furanylmethylthio)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(2-furfurylthio)propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC=CO2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC=CO2)S(=O)(=O)C

InChI

InChI=1S/C18H23N3O6S2/c1-14-6-7-15(21(23)24)11-17(14)20(29(2,25)26)12-18(22)19-8-4-10-28-13-16-5-3-9-27-16/h3,5-7,9,11H,4,8,10,12-13H2,1-2H3,(H,19,22)