N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[2-(2-furylmethylsulfanyl)ethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-(2-furanylmethylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[2-(2-furfurylthio)ethyl]acetamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSCC2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S2/c25-21(22-11-13-31-16-19-8-5-12-30-19)15-23(17-6-4-7-18(14-17)24(26)27)32(28,29)20-9-2-1-3-10-20/h1-10,12,14H,11,13,15-16H2,(H,22,25)