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

Systemtic Name: N-[3-(furan-2-ylmethylsulfanyl)propyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[3-(2-furylmethylsulfanyl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(2-furanylmethylthio)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(furan-2-ylmethylsulfanyl)propyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[3-(2-furfurylthio)propyl]acetamide Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S2/c26-22(23-12-6-14-32-17-20-9-5-13-31-20)16-24(18-7-4-8-19(15-18)25(27)28)33(29,30)21-10-2-1-3-11-21/h1-5,7-11,13,15H,6,12,14,16-17H2,(H,23,26)