3-[[3-azanyl-4-[(5-bromanylpyridin-2-yl)diazenyl]phenyl]-propyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[[3-azanyl-4-[(5-bromanylpyridin-2-yl)diazenyl]phenyl]-propyl-amino]propane-1-sulfonic acid Openeye Name: 3-[3-amino-4-[(5-bromo-2-pyridyl)azo]-N-propyl-anilino]propane-1-sulfonic acid CAS Name: 3-[3-amino-4-[(5-bromo-2-pyridinyl)azo]-N-propylanilino]-1-propanesulfonic acid IUPAC Name: 3-[3-amino-4-[(5-bromopyridin-2-yl)diazenyl]-N-propylanilino]propane-1-sulfonic acid Traditional Name: 3-[3-amino-4-[(5-bromo-2-pyridyl)azo]-N-propyl-anilino]propane-1-sulfonic acid Formula: C17H22BrN5O3S MolecularWeight: 456.35728

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)N

Isomeric SMILES

CCCN(CCCS(=O)(=O)O)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)N

InChI

InChI=1S/C17H22BrN5O3S/c1-2-8-23(9-3-10-27(24,25)26)14-5-6-16(15(19)11-14)21-22-17-7-4-13(18)12-20-17/h4-7,11-12H,2-3,8-10,19H2,1H3,(H,24,25,26)