1-methyl-4-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(4-pyridylsulfanyl)acetyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[1-oxo-2-(pyridin-4-ylthio)ethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-(4-pyridylthio)acetyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C17H21N5O4S2/c1-20-11-14(10-15(20)17(18)24)28(25,26)22-8-6-21(7-9-22)16(23)12-27-13-2-4-19-5-3-13/h2-5,10-11H,6-9,12H2,1H3,(H2,18,24)