CHEBI:105869 - 4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
ChEBI ID CHEBI:105869
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H24N2O5S
Net Charge 0
Average Mass 476.546
Monoisotopic Mass 476.14059
InChI InChI=1S/C26H24N2O5S/c1-33-19-11-9-18(10-12-19)28-34(31,32)20-13-14-24-23(15-20)21-3-2-4-22(21)25(27-24)16-5-7-17(8-6-16)26(29)30/h2-3,5-15,21-22,25,27-28H,4H2,1H3,(H,29,30)/t21-,22+,25+/m0/s1
InChIKey UJLSMINJLZJZEX-SGIRGMQISA-N
SMILES COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@@H]3C=CC4)C5=CC=C(C=C5)C(=O)O
ChEBI Ontology
Outgoing 4-[(3aR,4S,9bS)-8-[(4-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid (CHEBI:105869) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-17230 LINCS
View more database links