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

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSCC2=CC=CO2)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O6S2/c1-13-5-6-14(20(22)23)10-16(13)19(28(2,24)25)11-17(21)18-7-9-27-12-15-4-3-8-26-15/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,18,21)