1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C17H17ClFN3O4S MolecularWeight: 413.850983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17ClFN3O4S/c18-14-11-13(5-6-15(14)19)12-20-7-9-21(10-8-20)27(25,26)17-4-2-1-3-16(17)22(23)24/h1-6,11H,7-10,12H2