CHEBI:101165 - N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide

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ChEBI Name N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
ChEBI ID CHEBI:101165
Stars This entity has been manually annotated by a third party.
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Formula C23H31F3N2O4S
Net Charge 0
Average Mass 488.565
Monoisotopic Mass 488.19566
InChI InChI=1S/C23H31F3N2O4S/c1-16(23(32-4)14-27(3)13-18-11-20(25)7-10-22(18)26)12-28(17(2)15-29)33(30,31)21-8-5-19(24)6-9-21/h5-11,16-17,23,29H,12-15H2,1-4H3/t16-,17-,23-/m0/s1
InChIKey HABLAPXLJDLSLY-QQMNAOGKSA-N
SMILES C[C@@H](CN([C@@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC
ChEBI Ontology
Outgoing N-[(2S,3R)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide (CHEBI:101165) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12534 LINCS
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