CHEBI:123362 - 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:123362
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24ClNO4S
Net Charge 0
Average Mass 421.939
Monoisotopic Mass 421.11146
InChI InChI=1S/C21H24ClNO4S/c1-2-27-20(24)21(28(25,26)19-6-4-3-5-7-19)12-14-23(15-13-21)16-17-8-10-18(22)11-9-17/h3-11H,2,12-16H2,1H3
InChIKey RDQPGXJOUZSIHR-UHFFFAOYSA-N
SMILES CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3
ChEBI Ontology
Outgoing 4-(benzenesulfonyl)-1-[(4-chlorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:123362) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-34804 LINCS
View more database links