1-methyl-4-[4-[2-(2-oxidanylidenepyridin-1-yl)ethanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[2-(2-oxidanylidenepyridin-1-yl)ethanoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(2-oxo-1-pyridyl)acetyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[1-oxo-2-(2-oxo-1-pyridinyl)ethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[2-(2-oxopyridin-1-yl)acetyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-[2-(2-keto-1-pyridyl)acetyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=CC=CC3=O

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CN3C=CC=CC3=O

InChI

InChI=1S/C17H21N5O5S/c1-19-11-13(10-14(19)17(18)25)28(26,27)22-8-6-20(7-9-22)16(24)12-21-5-3-2-4-15(21)23/h2-5,10-11H,6-9,12H2,1H3,(H2,18,25)