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

Systemtic Name: 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-piperidinosulfonyl-2-pyridyl)thio]-1-[4-(2-thenyl)piperazino]ethanone Formula: C21H28N4O3S3 MolecularWeight: 480.66702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H28N4O3S3/c26-21(24-12-10-23(11-13-24)16-18-5-4-14-29-18)17-30-20-7-6-19(15-22-20)31(27,28)25-8-2-1-3-9-25/h4-7,14-15H,1-3,8-13,16-17H2