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CHEBI:131996 - ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate

ChEBI IDCHEBI:131996
ChEBI Nameethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
Stars
ASCII Nameethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
DefinitionA sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group.
Last Modified20 May 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H22ClN3O5S
Net Charge0
Average Mass403.888
Monoisotopic Mass403.09687
SMILESCCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O5S/c1-3-25-16(22)20-10-8-19(9-11-20)15(21)12-18(2)26(23,24)14-6-4-13(17)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyGVRRKYYMISVYGI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate (CHEBI:131996) is a carbamate ester (CHEBI:23003)
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate (CHEBI:131996) is a sulfonamide (CHEBI:35358)
IUPAC Name 
ethyl 4-[N-(4-chlorobenzene-1-sulfonyl)-N-methylglycyl]piperazine-1-carboxylate
Synonyms  Source
4-[2-[[(4-chlorophenyl)sulfonyl]methylamino]acetyl]-1-piperazinecarboxylic acid, ethyl esterChEBI
ethyl 4-[2-[[(4-chlorophenyl)sulfonyl]methylamino]acetyl]-1-piperazinecarboxylateChEBI
Citations