2-[[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]carbamoylmethylsulfanyl]butanedioic acid

Molecular Formula: C18H23ClN2O7S2


InChI: InChI=1/C18H23ClN2O7S2/c19-13-6-5-12(30(27,28)21-7-3-1-2-4-8-21)9-14(13)20-16(22)11-29-15(18(25)26)10-17(23)24/h5-6,9,15H,1-4,7-8,10-11H2,(H,20,22)(H,23,24)(H,25,26)/f/h20,23,25H

InChIKey: InChIKey=RAUSYUJVZMWUFF-JOVXIWITCL
SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC(CC(=O)O)C(=O)O

Names:
    2-[[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]carbamoylmethylsulfanyl]butanedioic acid

Registries:
    PubChem CID 4133817
    PubChem ID 6067453