2-[4-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(2-fluorophenyl)sulfanyl-5-nitro-phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(2-fluorophenyl)sulfanyl-5-nitro-benzoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-[(2-fluorophenyl)thio]-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(2-fluorophenyl)sulfanyl-5-nitrobenzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(2-fluorophenyl)thio]-5-nitro-benzoyl]piperazino]-1-pyrrolidino-ethanone Formula: C23H25FN4O4S MolecularWeight: 472.532403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=CC=C4F

InChI

InChI=1S/C23H25FN4O4S/c24-19-5-1-2-6-21(19)33-20-8-7-17(28(31)32)15-18(20)23(30)27-13-11-25(12-14-27)16-22(29)26-9-3-4-10-26/h1-2,5-8,15H,3-4,9-14,16H2