1-(4-chlorophenyl)sulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazine

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazine Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazine CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[4-nitro-3-(2-pyridinylthio)phenyl]piperazine IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazine Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-[4-nitro-3-(2-pyridylthio)phenyl]piperazine Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4S2/c22-16-4-7-18(8-5-16)32(29,30)25-13-11-24(12-14-25)17-6-9-19(26(27)28)20(15-17)31-21-3-1-2-10-23-21/h1-10,15H,11-14H2