CHEBI:94258 - 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide
ChEBI ID CHEBI:94258
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H27N3O3S
Net Charge 0
Average Mass 401.524
Monoisotopic Mass 401.17731
InChI InChI=1S/C21H27N3O3S/c1-16-7-5-10-20(17(16)2)23-11-13-24(14-12-23)21(25)18-8-6-9-19(15-18)28(26,27)22(3)4/h5-10,15H,11-14H2,1-4H3
InChIKey LLVSVPLTBJKUOS-UHFFFAOYSA-N
SMILES CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N(C)C)C
ChEBI Ontology
Outgoing 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide (CHEBI:94258) is a piperazines (CHEBI:26144)
Manual Xref Database
LSM-4881 LINCS
View more database links