KB-R7943   

GtoPdb Ligand ID: 4232

Compound class: Synthetic organic
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Isomeric SMILES CS(=O)(=O)O.NC(=N)SCCc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
InChI InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
InChI Key WGIKEBHIKKWJLG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
methanesulfonic acid; 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethylsulfanylmethanimidamide
Database Links
CAS Registry No. 182004-65-5 (source: Scifinder)
GtoPdb PubChem SID 178101049
PubChem CID 9823846
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Tocris
KB-R7943 mesylate
Cat. No. 1244