1-[3-fluoranyl-4-[4-(5-methylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(5-methylsulfonyl-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(5-methylsulfonyl-2-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[5-methylsulfonyl-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(5-methylsulfonyl-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(5-mesyl-2-pyrrolidino-benzoyl)piperazino]phenyl]ethanone Formula: C24H28FN3O4S MolecularWeight: 473.560223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)C)N4CCCC4)F

InChI

InChI=1S/C24H28FN3O4S/c1-17(29)18-5-7-23(21(25)15-18)27-11-13-28(14-12-27)24(30)20-16-19(33(2,31)32)6-8-22(20)26-9-3-4-10-26/h5-8,15-16H,3-4,9-14H2,1-2H3