(4-bromophenyl)-[2-methoxy-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide

Systemtic Name: (4-bromophenyl)-[2-methoxy-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (4-bromophenyl)-[2-methoxy-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (4-bromophenyl)-[2-methoxy-5-[oxo-(3-pyridin-1-iumylamino)methyl]phenyl]sulfonylazanide IUPAC Name: (4-bromophenyl)-[2-methoxy-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (4-bromophenyl)-[2-methoxy-5-(pyridin-1-ium-3-ylcarbamoyl)phenyl]sulfonyl-azanide Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C[NH+]=CC=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C[NH+]=CC=C2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H15BrN3O4S/c1-27-17-9-4-13(19(24)22-16-3-2-10-21-12-16)11-18(17)28(25,26)23-15-7-5-14(20)6-8-15/h2-12H,1H3,(H,22,24)/q-1/p+1