CHEBI:100991 - 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

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ChEBI Name 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
ChEBI ID CHEBI:100991
Stars This entity has been manually annotated by a third party.
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Formula C23H33ClN2O6S2
Net Charge 0
Average Mass 533.104
Monoisotopic Mass 532.14686
InChI InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19+,23-/m1/s1
InChIKey FYUSSFRUYFLLAK-SELNLUPBSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@H]([C@H](C)CN([C@@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC
ChEBI Ontology
Outgoing 3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide (CHEBI:100991) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12364 LINCS
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