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

Systemtic Name: [4-[2-oxidanylidene-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-phenyl-azanide Openeye Name: [4-[2-oxo-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-phenyl-azanide CAS Name: [4-[2-oxo-2-(4-pyridin-1-iumylmethylamino)ethoxy]phenyl]sulfonyl-phenylazanide IUPAC Name: [4-[2-oxo-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-phenylazanide Traditional Name: [4-[2-keto-2-(pyridin-1-ium-4-ylmethylamino)ethoxy]phenyl]sulfonyl-phenyl-azanide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O4S/c24-20(22-14-16-10-12-21-13-11-16)15-27-18-6-8-19(9-7-18)28(25,26)23-17-4-2-1-3-5-17/h1-13H,14-15H2,(H,22,24)/q-1/p+1