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

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(3-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/c18-16-10-13(4-5-17(16)19)12-20-6-8-21(9-7-20)27(25,26)15-3-1-2-14(11-15)22(23)24/h1-5,10-11H,6-9,12H2