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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SCC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SCC4=CC=CO4

InChI

InChI=1S/C22H23N3O5S2/c1-17-4-7-20(8-5-17)32(28,29)24-12-10-23(11-13-24)18-6-9-21(25(26)27)22(15-18)31-16-19-3-2-14-30-19/h2-9,14-15H,10-13,16H2,1H3