3-[[(4E)-4-[(5-bromanylpyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]hexane-1-sulfonic acid

Systemtic Name: 3-[[(4E)-4-[(5-bromanylpyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]hexane-1-sulfonic acid Openeye Name: 3-[[(4E)-4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]amino]hexane-1-sulfonic acid CAS Name: 3-[[(4E)-4-[(5-bromo-2-pyridinyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]amino]-1-hexanesulfonic acid IUPAC Name: 3-[[(4E)-4-[(5-bromopyridin-2-yl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]amino]hexane-1-sulfonic acid Traditional Name: 3-[[(4E)-4-[(5-bromo-2-pyridyl)hydrazono]-3-keto-cyclohexa-1,5-dien-1-yl]amino]hexane-1-sulfonic acid Formula: C17H21BrN4O4S MolecularWeight: 457.34204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCS(=O)(=O)O)NC1=CC(=O)C(=NNC2=NC=C(C=C2)Br)C=C1

Isomeric SMILES

CCCC(CCS(=O)(=O)O)NC1=CC(=O)/C(=N/NC2=NC=C(C=C2)Br)/C=C1

InChI

InChI=1S/C17H21BrN4O4S/c1-2-3-13(8-9-27(24,25)26)20-14-5-6-15(16(23)10-14)21-22-17-7-4-12(18)11-19-17/h4-7,10-11,13,20H,2-3,8-9H2,1H3,(H,19,22)(H,24,25,26)/b21-15+