2-tert-butylsulfanyl-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-tert-butylsulfanyl-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-tert-butylsulfanyl-1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(tert-butylthio)-1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 2-tert-butylsulfanyl-1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(tert-butylthio)-1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]ethanone Formula: C19H30N4O4S2 MolecularWeight: 442.5959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S2/c1-19(2,3)28-15-18(24)22-8-6-21(7-9-22)17-5-4-16(14-20-17)29(25,26)23-10-12-27-13-11-23/h4-5,14H,6-13,15H2,1-3H3