CHEBI:119192 - LSM-30641

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-30641
ChEBI ID CHEBI:119192
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)28-11-7-6-10-27(28)26-9-5-4-8-24(26)20-38-29(21)18-32(3)39(36,37)25-14-12-23(16-31)13-15-25/h4-15,21-22,29,34H,17-20H2,1-3H3/t21-,22-,29-/m1/s1
InChIKey CPEICJXEUQBQMC-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=C(C=C4)C#N)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-30641 (CHEBI:119192) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-30641 LINCS
View more database links