4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-dione CAS Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-1-phenethyl-piperazine-2,6-quinone Formula: C18H16ClFN2O4S MolecularWeight: 410.847043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C(=O)CN1S(=O)(=O)C2=CC(=C(C=C2)F)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C18H16ClFN2O4S/c19-15-10-14(6-7-16(15)20)27(25,26)21-11-17(23)22(18(24)12-21)9-8-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2