1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C17H17ClFN3O4S MolecularWeight: 413.850983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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