EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:117930 - N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-2-methoxybenzenesulfonamide

ChEBI IDCHEBI:117930
ChEBI NameN-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-2-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC20H31N3O6S
Net Charge0
Average Mass441.550
Monoisotopic Mass441.19336
SMILESCOc1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](CC(=O)N2CCN(C)CC2)O[C@@H]1CO
InChIInChI=1S/C20H31N3O6S/c1-22-9-11-23(12-10-22)20(25)13-15-7-8-16(18(14-24)29-15)21-30(26,27)19-6-4-3-5-17(19)28-2/h3-6,15-16,18,21,24H,7-14H2,1-2H3/t15-,16-,18+/m0/s1
InChIKeyBMWSYQFQMBOYKL-XYJFISCASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]-2-methoxybenzenesulfonamide (CHEBI:117930) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29379LINCS