CHEBI:98169 - LSM-9548

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ChEBI Name LSM-9548
ChEBI ID CHEBI:98169
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H27N3O6S
Net Charge 0
Average Mass 461.533
Monoisotopic Mass 461.16206
InChI InChI=1S/C22H27N3O6S/c1-14-6-3-4-8-18(14)32(29,30)25-17-12-24-16(7-5-9-19(24)27)21(25)20(15(17)13-26)22(28)23-10-11-31-2/h3-9,15,17,20-21,26H,10-13H2,1-2H3,(H,23,28)/t15-,17-,20+,21+/m0/s1
InChIKey MTAIFDHMXJWVCS-YHEJVBIMSA-N
SMILES CC1=CC=CC=C1S(=O)(=O)N2[C@H]3CN4C(=O)C=CC=C4[C@@H]2[C@@H]([C@H]3CO)C(=O)NCCOC
ChEBI Ontology
Outgoing LSM-9548 (CHEBI:98169) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-9548 LINCS
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