2-ethylsulfanyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-[4-(2-pyridyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[4-(2-pyridyl)piperazino]sulfonylpropyl]benzamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H28N4O3S2/c1-2-29-19-9-4-3-8-18(19)21(26)23-12-7-17-30(27,28)25-15-13-24(14-16-25)20-10-5-6-11-22-20/h3-6,8-11H,2,7,12-17H2,1H3,(H,23,26)