N-[3-(furan-2-ylmethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(furan-2-ylmethylsulfanyl)-4-oxidanyl-naphthalen-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(2-furylmethylsulfanyl)-4-hydroxy-1-naphthyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(2-furanylmethylthio)-4-hydroxy-1-naphthalenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(furan-2-ylmethylsulfanyl)-4-hydroxynaphthalen-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(2-furfurylthio)-4-hydroxy-1-naphthyl]-3-nitro-benzenesulfonamide Formula: C21H16N2O6S2 MolecularWeight: 456.49154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)SCC3=CC=CO3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)SCC3=CC=CO3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O6S2/c24-21-18-9-2-1-8-17(18)19(12-20(21)30-13-15-6-4-10-29-15)22-31(27,28)16-7-3-5-14(11-16)23(25)26/h1-12,22,24H,13H2