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

Systemtic Name: 1-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazine CAS Name: 1-[3-(2-furanylmethylthio)-4-nitrophenyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[3-(2-furfurylthio)-4-nitro-phenyl]piperazine Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SCC3=CC=CO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O5S2/c26-25(27)21-9-8-19(15-22(21)31-16-20-7-4-14-30-20)23-10-12-24(13-11-23)32(28,29)17-18-5-2-1-3-6-18/h1-9,14-15H,10-13,16-17H2