CHEBI:101066 - 3-chloro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-chloro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
ChEBI ID CHEBI:101066
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H30ClFN2O6S2
Net Charge 0
Average Mass 537.068
Monoisotopic Mass 536.12178
InChI InChI=1S/C22H30ClFN2O6S2/c1-16(13-26(17(2)15-27)34(30,31)21-7-5-6-18(23)12-21)22(32-4)14-25(3)33(28,29)20-10-8-19(24)9-11-20/h5-12,16-17,22,27H,13-15H2,1-4H3/t16-,17+,22-/m0/s1
InChIKey KNLROJRONDBMAV-JKSBSHDWSA-N
SMILES C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC(=CC=C1)Cl)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
ChEBI Ontology
Outgoing 3-chloro-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CHEBI:101066) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12438 LINCS
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