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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=O)C(=NNC2=NC=C(C=C2)Br)C=C1)C(CC)S(=O)(=O)O

Isomeric SMILES

CCCN(C1=CC(=O)/C(=N\NC2=NC=C(C=C2)Br)/C=C1)C(CC)S(=O)(=O)O

InChI

InChI=1S/C17H21BrN4O4S/c1-3-9-22(17(4-2)27(24,25)26)13-6-7-14(15(23)10-13)20-21-16-8-5-12(18)11-19-16/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,19,21)(H,24,25,26)/b20-14-