1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[3-(2-furanylmethylthio)-4-nitrophenyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazine Traditional Name: 1-besyl-4-[3-(2-furfurylthio)-4-nitro-phenyl]piperazine Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S2/c25-24(26)20-9-8-17(15-21(20)30-16-18-5-4-14-29-18)22-10-12-23(13-11-22)31(27,28)19-6-2-1-3-7-19/h1-9,14-15H,10-13,16H2