CHEBI:97276 - N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
ChEBI ID CHEBI:97276
Stars This entity has been manually annotated by a third party.
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Formula C23H33ClN2O4S
Net Charge 0
Average Mass 469.039
Monoisotopic Mass 468.18496
InChI InChI=1S/C23H33ClN2O4S/c1-18(14-26(19(2)17-27)15-20-10-8-9-13-22(20)24)23(30-4)16-25(3)31(28,29)21-11-6-5-7-12-21/h5-13,18-19,23,27H,14-17H2,1-4H3/t18-,19+,23-/m1/s1
InChIKey BNYRIOADMGPGIR-SELNLUPBSA-N
SMILES C[C@H](CN(CC1=CC=CC=C1Cl)[C@@H](C)CO)[C@@H](CN(C)S(=O)(=O)C2=CC=CC=C2)OC
ChEBI Ontology
Outgoing N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide (CHEBI:97276) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-8655 LINCS
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