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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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