4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2-furylmethylsulfanyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2-furanylmethylthio)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2-furfurylthio)ethylamino]-3-nitro-benzenesulfonamide Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CSCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S2/c14-23(19,20)11-3-4-12(13(8-11)16(17)18)15-5-7-22-9-10-2-1-6-21-10/h1-4,6,8,15H,5,7,9H2,(H2,14,19,20)