1-[4-[[(3S,4S)-3-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3S,4S)-3-oxidanyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridinyl)-1-piperazinyl]-1-pyrrolidinyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3S,4S)-3-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3S,4S)-3-hydroxy-4-[4-(2-pyridyl)piperazino]pyrrolidino]methyl]-2-thienyl]ethanone Formula: C20H26N4O2S MolecularWeight: 386.51104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H26N4O2S/c1-15(25)19-10-16(14-27-19)11-22-12-17(18(26)13-22)23-6-8-24(9-7-23)20-4-2-3-5-21-20/h2-5,10,14,17-18,26H,6-9,11-13H2,1H3/t17-,18-/m0/s1