5-azanyl-2-methoxy-N-pyridin-1-ium-4-yl-benzenesulfonamide

Systemtic Name: 5-azanyl-2-methoxy-N-pyridin-1-ium-4-yl-benzenesulfonamide Openeye Name: 5-amino-2-methoxy-N-pyridin-1-ium-4-yl-benzenesulfonamide CAS Name: 5-amino-2-methoxy-N-(4-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: 5-amino-2-methoxy-N-pyridin-1-ium-4-ylbenzenesulfonamide Traditional Name: 5-amino-2-methoxy-N-pyridin-1-ium-4-yl-benzenesulfonamide Formula: C12H14N3O3S+ MolecularWeight: 280.32286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=[NH+]C=C2

Isomeric SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=[NH+]C=C2

InChI

InChI=1S/C12H13N3O3S/c1-18-11-3-2-9(13)8-12(11)19(16,17)15-10-4-6-14-7-5-10/h2-8H,13H2,1H3,(H,14,15)/p+1