4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride Openeye Name: 4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride CAS Name: 4-ethoxy-3-[[oxo-(3-pyridin-1-iumylamino)methyl]amino]benzenesulfonyl chloride IUPAC Name: 4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride Traditional Name: 4-ethoxy-3-(pyridin-1-ium-3-ylcarbamoylamino)benzenesulfonyl chloride Formula: C14H15ClN3O4S+ MolecularWeight: 356.8046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)NC(=O)NC2=C[NH+]=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)Cl)NC(=O)NC2=C[NH+]=CC=C2

InChI

InChI=1S/C14H14ClN3O4S/c1-2-22-13-6-5-11(23(15,20)21)8-12(13)18-14(19)17-10-4-3-7-16-9-10/h3-9H,2H2,1H3,(H2,17,18,19)/p+1