N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-[2-(2-furylmethylsulfanyl)ethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-(2-furanylmethylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(N-besyl-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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