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

Systemtic Name: (4-bromophenyl)-[2-methoxy-5-(2-pyridin-1-ium-2-ylethylcarbamoyl)phenyl]sulfonyl-azanide Openeye Name: (4-bromophenyl)-[2-methoxy-5-(2-pyridin-1-ium-2-ylethylcarbamoyl)phenyl]sulfonyl-azanide CAS Name: (4-bromophenyl)-[2-methoxy-5-[oxo-[2-(2-pyridin-1-iumyl)ethylamino]methyl]phenyl]sulfonylazanide IUPAC Name: (4-bromophenyl)-[2-methoxy-5-(2-pyridin-1-ium-2-ylethylcarbamoyl)phenyl]sulfonylazanide Traditional Name: (4-bromophenyl)-[2-methoxy-5-(2-pyridin-1-ium-2-ylethylcarbamoyl)phenyl]sulfonyl-azanide Formula: C21H20BrN3O4S MolecularWeight: 490.3702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=[NH+]2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=[NH+]2)S(=O)(=O)[N-]C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN3O4S/c1-29-19-10-5-15(21(26)24-13-11-17-4-2-3-12-23-17)14-20(19)30(27,28)25-18-8-6-16(22)7-9-18/h2-10,12,14H,11,13H2,1H3,(H,24,26)/q-1/p+1