CHEBI:101393 - 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide
ChEBI ID CHEBI:101393
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H30FN3O4S2
Net Charge 0
Average Mass 459.601
Monoisotopic Mass 459.16618
InChI InChI=1S/C20H30FN3O4S2/c1-15(19(28-4)12-23(3)13-20-22-9-10-29-20)11-24(16(2)14-25)30(26,27)18-7-5-17(21)6-8-18/h5-10,15-16,19,25H,11-14H2,1-4H3/t15-,16+,19+/m0/s1
InChIKey HDBUQVYPKWOJFH-FRQCXROJSA-N
SMILES C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@@H](CN(C)CC2=NC=CS2)OC
ChEBI Ontology
Outgoing 4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl(2-thiazolylmethyl)amino]butyl]benzenesulfonamide (CHEBI:101393) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12756 LINCS
View more database links