1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(2-fluorophenyl)-1-piperazinyl]-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethanone IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanone Traditional Name: 1-[4-(2-fluorophenyl)piperazino]-2-[(4-pyrrolidinosulfonylphenyl)thio]ethanone Formula: C22H26FN3O3S2 MolecularWeight: 463.588543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H26FN3O3S2/c23-20-5-1-2-6-21(20)24-13-15-25(16-14-24)22(27)17-30-18-7-9-19(10-8-18)31(28,29)26-11-3-4-12-26/h1-2,5-10H,3-4,11-17H2