(4-ethoxyphenyl)-[4-[2-oxidanylidene-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-azanide

Systemtic Name: (4-ethoxyphenyl)-[4-[2-oxidanylidene-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-azanide Openeye Name: (4-ethoxyphenyl)-[4-[2-oxo-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-azanide CAS Name: (4-ethoxyphenyl)-[4-[2-oxo-2-(4-pyridin-1-iumylmethylamino)ethoxy]phenyl]sulfonylazanide IUPAC Name: (4-ethoxyphenyl)-[4-[2-oxo-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonylazanide Traditional Name: [4-[2-keto-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-p-phenetyl-azanide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C22H22N3O5S/c1-2-29-19-5-3-18(4-6-19)25-31(27,28)21-9-7-20(8-10-21)30-16-22(26)24-15-17-11-13-23-14-12-17/h3-14H,2,15-16H2,1H3,(H,24,26)/q-1/p+1