CHEBI:109621 - 3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]butanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]butanoic acid
ChEBI ID CHEBI:109621
Stars This entity has been manually annotated by a third party.
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Formula C18H28N2O4S
Net Charge 0
Average Mass 368.493
Monoisotopic Mass 368.17698
InChI InChI=1S/C18H28N2O4S/c1-4-14(2)16-5-7-17(8-6-16)25(23,24)20-11-9-19(10-12-20)15(3)13-18(21)22/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,22)
InChIKey LGMCGWLSDVQJAE-UHFFFAOYSA-N
SMILES CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)CC(=O)O
ChEBI Ontology
Outgoing 3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]butanoic acid (CHEBI:109621) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-21049 LINCS
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