1-[[4-[[3,5-bis(bromanyl)pyridin-2-yl]diazenyl]phenyl]-ethyl-amino]propane-1-sulfonic acid

Systemtic Name: 1-[[4-[[3,5-bis(bromanyl)pyridin-2-yl]diazenyl]phenyl]-ethyl-amino]propane-1-sulfonic acid Openeye Name: 1-[4-[(3,5-dibromo-2-pyridyl)azo]-N-ethyl-anilino]propane-1-sulfonic acid CAS Name: 1-[4-[(3,5-dibromo-2-pyridinyl)azo]-N-ethylanilino]-1-propanesulfonic acid IUPAC Name: 1-[4-[(3,5-dibromopyridin-2-yl)diazenyl]-N-ethylanilino]propane-1-sulfonic acid Traditional Name: 1-[4-[(3,5-dibromo-2-pyridyl)azo]-N-ethyl-anilino]propane-1-sulfonic acid Formula: C16H18Br2N4O3S MolecularWeight: 506.21212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=N2)Br)Br)S(=O)(=O)O

Isomeric SMILES

CCC(N(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=N2)Br)Br)S(=O)(=O)O

InChI

InChI=1S/C16H18Br2N4O3S/c1-3-15(26(23,24)25)22(4-2)13-7-5-12(6-8-13)20-21-16-14(18)9-11(17)10-19-16/h5-10,15H,3-4H2,1-2H3,(H,23,24,25)