EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96474 - N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96474
ChEBI NameN-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC28H38N2O7S2
Net Charge0
Average Mass578.753
Monoisotopic Mass578.21204
SMILESCOc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3cc(C4=CCCCC4)ccc3S(=O)(=O)N([C@@H](C)CO)C[C@@H]2C)c1
InChIInChI=1S/C28H38N2O7S2/c1-20-17-30(21(2)19-31)39(34,35)28-14-13-23(22-9-6-5-7-10-22)15-26(28)37-27(20)18-29(3)38(32,33)25-12-8-11-24(16-25)36-4/h8-9,11-16,20-21,27,31H,5-7,10,17-19H2,1-4H3/t20-,21-,27-/m0/s1
InChIKeyPIKMQEDGBFJLCE-IZVMNLJQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:96474) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-7853LINCS