CHEBI:101356 - LSM-12720

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ChEBI Name LSM-12720
ChEBI ID CHEBI:101356
Stars This entity has been manually annotated by a third party.
Supplier Information
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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)27-14-8-7-13-26(27)25-12-6-4-11-24(25)20-38-28(21)18-32(3)39(36,37)29-15-9-5-10-23(29)16-31/h4-15,21-22,28,34H,17-20H2,1-3H3/t21-,22-,28-/m0/s1
InChIKey CWLJLYLZQZUHCH-VPYPWEPUSA-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#N)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-12720 (CHEBI:101356) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12720 LINCS
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