1-(4-ethylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-ethylpiperazino)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C18H28N4O4S2 MolecularWeight: 428.56932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O4S2/c1-3-20-6-8-21(9-7-20)18(23)15(2)27-17-5-4-16(14-19-17)28(24,25)22-10-12-26-13-11-22/h4-5,14-15H,3,6-13H2,1-2H3