CHEBI:108112 - 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid

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ChEBI Name 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid
ChEBI ID CHEBI:108112
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H21ClN2O5S
Net Charge 0
Average Mass 436.911
Monoisotopic Mass 436.08597
InChI InChI=1S/C20H21ClN2O5S/c21-17-9-8-14(19(24)22-16-7-5-6-15(12-16)20(25)26)13-18(17)29(27,28)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11H2,(H,22,24)(H,25,26)
InChIKey HUVHEVNCIMLRMZ-UHFFFAOYSA-N
SMILES C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)Cl
ChEBI Ontology
Outgoing 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid (CHEBI:108112) is a benzamides (CHEBI:22702)
Manual Xref Database
LSM-19489 LINCS
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