methyl 5-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[oxo-(2-oxo-1H-pyridin-3-yl)methyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-(2-keto-1H-pyridine-3-carbonyl)piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=O

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C16H17N3O6S2/c1-25-16(22)11-9-13(26-10-11)27(23,24)19-7-5-18(6-8-19)15(21)12-3-2-4-17-14(12)20/h2-4,9-10H,5-8H2,1H3,(H,17,20)