CHEBI:101930 - LSM-13291

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13291
ChEBI ID CHEBI:101930
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H33N3O5S
Net Charge 0
Average Mass 547.667
Monoisotopic Mass 547.21409
InChI InChI=1S/C30H33N3O5S/c1-21-17-33(22(2)19-34)30(35)28-14-7-6-13-27(28)26-12-5-4-10-24(26)20-38-29(21)18-32(3)39(36,37)25-11-8-9-23(15-25)16-31/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29-/m1/s1
InChIKey RWOMJVAVZPFCIF-IEOSBIPESA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-13291 (CHEBI:101930) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-13291 LINCS
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