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

Systemtic Name: sodium 3-[[3-azanyl-4-[(5-bromanylpyridin-2-yl)diazenyl]phenyl]-propyl-amino]propane-1-sulfonate Openeye Name: sodium 3-[3-amino-4-[(5-bromo-2-pyridyl)azo]-N-propyl-anilino]propane-1-sulfonate CAS Name: sodium 3-[3-amino-4-[(5-bromo-2-pyridinyl)azo]-N-propylanilino]-1-propanesulfonate IUPAC Name: sodium 3-[3-amino-4-[(5-bromopyridin-2-yl)diazenyl]-N-propylanilino]propane-1-sulfonate Traditional Name: sodium 3-[3-amino-4-[(5-bromo-2-pyridyl)azo]-N-propyl-anilino]propane-1-sulfonate Formula: C17H21BrN5NaO3S MolecularWeight: 478.33911

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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.[Na+]

Isomeric SMILES

CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)N.[Na+]

InChI

InChI=1S/C17H22BrN5O3S.Na/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);/q;+1/p-1