2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]-1-[4-(2-thenyl)piperazino]ethanone Formula: C20H26N4O3S3 MolecularWeight: 466.64044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H26N4O3S3/c25-20(23-11-9-22(10-12-23)15-17-4-3-13-28-17)16-29-19-6-5-18(14-21-19)30(26,27)24-7-1-2-8-24/h3-6,13-14H,1-2,7-12,15-16H2