CHEBI:101375 - LSM-12739

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ChEBI Name LSM-12739
ChEBI ID CHEBI:101375
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H36N2O5S
Net Charge 0
Average Mass 536.684
Monoisotopic Mass 536.23449
InChI InChI=1S/C30H36N2O5S/c1-21-11-5-10-16-29(21)38(35,36)31(4)18-28-22(2)17-32(23(3)19-33)30(34)27-15-9-8-14-26(27)25-13-7-6-12-24(25)20-37-28/h5-16,22-23,28,33H,17-20H2,1-4H3/t22-,23-,28+/m1/s1
InChIKey RCQCJVVJEHACDL-MRJKTFCFSA-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=C4C)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12739 (CHEBI:101375) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12739 LINCS
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