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

Systemtic Name: 1-[3-(furan-2-ylsulfanyl)-4-nitro-phenyl]-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-[3-(2-furylsulfanyl)-4-nitro-phenyl]-4-(p-tolylsulfonyl)piperazine CAS Name: 1-[3-(2-furanylthio)-4-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[3-(furan-2-ylsulfanyl)-4-nitrophenyl]-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-[3-(2-furylthio)-4-nitro-phenyl]-4-tosyl-piperazine Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])SC4=CC=CO4

InChI

InChI=1S/C21H21N3O5S2/c1-16-4-7-18(8-5-16)31(27,28)23-12-10-22(11-13-23)17-6-9-19(24(25)26)20(15-17)30-21-3-2-14-29-21/h2-9,14-15H,10-13H2,1H3