N-[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-[(3-bromanyl-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3-[(3-bromo-4-ethoxy-phenyl)sulfamoyl]-4-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H20BrN3O5S MolecularWeight: 506.3696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=C[N+](=CC=C3)[O-])C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=C[N+](=CC=C3)[O-])C)Br

InChI

InChI=1S/C21H20BrN3O5S/c1-3-30-19-9-8-17(11-18(19)22)24-31(28,29)20-12-16(7-6-14(20)2)23-21(26)15-5-4-10-25(27)13-15/h4-13,24H,3H2,1-2H3,(H,23,26)