ethyl 4-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[[4-(3-pyridylsulfonyl)piperazin-1-yl]methyl]thiazole-2-carboxylate CAS Name: 4-[[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[[4-(3-pyridylsulfonyl)piperazino]methyl]thiazole-2-carboxylic acid ethyl ester Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H20N4O4S2/c1-2-24-16(21)15-18-13(12-25-15)11-19-6-8-20(9-7-19)26(22,23)14-4-3-5-17-10-14/h3-5,10,12H,2,6-9,11H2,1H3