CHEBI:120536 - 4-[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
ChEBI ID CHEBI:120536
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H27N3O5S
Net Charge 0
Average Mass 361.459
Monoisotopic Mass 361.16714
InChI InChI=1S/C15H27N3O5S/c1-3-23-15(20)17-11-9-16(10-12-17)14(19)13-5-7-18(8-6-13)24(21,22)4-2/h13H,3-12H2,1-2H3
InChIKey CVPXFQSKOYJEPK-UHFFFAOYSA-N
SMILES CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:120536) is a piperazinecarboxylic acid (CHEBI:48683)
Manual Xref Database
LSM-31979 LINCS
View more database links