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

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C17H17BrFN3O4S MolecularWeight: 458.301983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrFN3O4S/c18-17-10-14(19)5-4-13(17)12-20-6-8-21(9-7-20)27(25,26)16-3-1-2-15(11-16)22(23)24/h1-5,10-11H,6-9,12H2