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

Systemtic Name: 1-methyl-4-[4-(2-phenethylsulfanylethanoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(2-phenethylsulfanylacetyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[1-oxo-2-(phenethylthio)ethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-phenethylsulfanylacetyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-(phenethylthio)acetyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)CSCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S2/c1-22-14-17(13-18(22)20(21)26)30(27,28)24-10-8-23(9-11-24)19(25)15-29-12-7-16-5-3-2-4-6-16/h2-6,13-14H,7-12,15H2,1H3,(H2,21,26)