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

Systemtic Name: 1-[[3-azanyl-4-[(5-bromanylpyridin-2-yl)diazenyl]phenyl]-propyl-amino]propane-1-sulfonic acid Openeye Name: 1-[3-amino-4-[(5-bromo-2-pyridyl)azo]-N-propyl-anilino]propane-1-sulfonic acid CAS Name: 1-[3-amino-4-[(5-bromo-2-pyridinyl)azo]-N-propylanilino]-1-propanesulfonic acid IUPAC Name: 1-[3-amino-4-[(5-bromopyridin-2-yl)diazenyl]-N-propylanilino]propane-1-sulfonic acid Traditional Name: 1-[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(C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)N)C(CC)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN5O3S/c1-3-9-23(17(4-2)27(24,25)26)13-6-7-15(14(19)10-13)21-22-16-8-5-12(18)11-20-16/h5-8,10-11,17H,3-4,9,19H2,1-2H3,(H,24,25,26)