CHEBI:100314 - LSM-11689

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ChEBI Name LSM-11689
ChEBI ID CHEBI:100314
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H33ClN2O5S
Net Charge 0
Average Mass 557.103
Monoisotopic Mass 556.17987
InChI InChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1
InChIKey SHOKCNHESYLQAS-GGJMMHKRSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-11689 (CHEBI:100314) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-11689 LINCS
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