1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S2/c22-17-4-3-5-18(14-17)24-10-12-25(13-11-24)21(27)16-30-20-7-6-19(15-23-20)31(28,29)26-8-1-2-9-26/h3-7,14-15H,1-2,8-13,16H2