1-[3-fluoranyl-4-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(3-pyrrolidinosulfonylbenzoyl)piperazino]phenyl]ethanone Formula: C23H26FN3O4S MolecularWeight: 459.533643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O4S/c1-17(28)18-7-8-22(21(24)16-18)25-11-13-26(14-12-25)23(29)19-5-4-6-20(15-19)32(30,31)27-9-2-3-10-27/h4-8,15-16H,2-3,9-14H2,1H3