1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-propan-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-propan-2-ylsulfanyl-ethanone Openeye Name: 2-isopropylsulfanyl-1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-2-(propan-2-ylthio)ethanone IUPAC Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone Traditional Name: 2-(isopropylthio)-1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]ethanone Formula: C18H28N4O4S2 MolecularWeight: 428.56932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)SCC(=O)N1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O4S2/c1-15(2)27-14-18(23)21-7-5-20(6-8-21)17-4-3-16(13-19-17)28(24,25)22-9-11-26-12-10-22/h3-4,13,15H,5-12,14H2,1-2H3