N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[3-(2-furylmethylsulfanyl)propyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[3-(2-furanylmethylthio)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[3-(2-furfurylthio)propyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CO1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSCC1=CC=CO1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S2/c1-28(24,25)19(14-5-2-6-15(11-14)20(22)23)12-17(21)18-8-4-10-27-13-16-7-3-9-26-16/h2-3,5-7,9,11H,4,8,10,12-13H2,1H3,(H,18,21)