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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(furan-2-ylmethylsulfanyl)-4-nitro-phenyl]piperazine Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(2-furylmethylsulfanyl)-4-nitro-phenyl]piperazine CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(2-furanylmethylthio)-4-nitrophenyl]piperazine IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(furan-2-ylmethylsulfanyl)-4-nitrophenyl]piperazine Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[3-(2-furfurylthio)-4-nitro-phenyl]piperazine Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S2/c22-16-3-6-19(7-4-16)32(28,29)24-11-9-23(10-12-24)17-5-8-20(25(26)27)21(14-17)31-15-18-2-1-13-30-18/h1-8,13-14H,9-12,15H2