CHEBI:117270 - (1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid

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ChEBI Name (1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid
ChEBI ID CHEBI:117270
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H26N2O5S
Net Charge 0
Average Mass 430.519
Monoisotopic Mass 430.15624
InChI InChI=1S/C22H26N2O5S/c1-14-7-12-20(15(2)13-14)24-30(28,29)17-10-8-16(9-11-17)23-21(25)18-5-3-4-6-19(18)22(26)27/h7-13,18-19,24H,3-6H2,1-2H3,(H,23,25)(H,26,27)/t18-,19+/m1/s1
InChIKey BLKPOIYAWPEWFU-MOPGFXCFSA-N
SMILES CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C
ChEBI Ontology
Outgoing (1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid (CHEBI:117270) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-28719 LINCS
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