CHEBI:100975 - N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
ChEBI ID CHEBI:100975
Stars This entity has been manually annotated by a third party.
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Formula C23H32ClFN2O4S
Net Charge 0
Average Mass 487.029
Monoisotopic Mass 486.17553
InChI InChI=1S/C23H32ClFN2O4S/c1-17(13-27(18(2)16-28)14-19-7-5-6-8-22(19)24)23(31-4)15-26(3)32(29,30)21-11-9-20(25)10-12-21/h5-12,17-18,23,28H,13-16H2,1-4H3/t17-,18-,23+/m1/s1
InChIKey IVUAVXPBXQRVFC-PNCHPQGNSA-N
SMILES C[C@H](CN(CC1=CC=CC=C1Cl)[C@H](C)CO)[C@H](CN(C)S(=O)(=O)C2=CC=C(C=C2)F)OC
ChEBI Ontology
Outgoing N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide (CHEBI:100975) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12348 LINCS
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