3-[(5-bromanylpyridin-2-yl)diazenyl]propyl-[(3-propylphenyl)amino]sulfamic acid

Systemtic Name: 3-[(5-bromanylpyridin-2-yl)diazenyl]propyl-[(3-propylphenyl)amino]sulfamic acid Openeye Name: 3-[(5-bromo-2-pyridyl)azo]propyl-(3-propylanilino)sulfamic acid CAS Name: 3-[(5-bromo-2-pyridinyl)azo]propyl-(3-propylanilino)sulfamic acid IUPAC Name: 3-[(5-bromopyridin-2-yl)diazenyl]propyl-(3-propylanilino)sulfamic acid Traditional Name: 3-[(5-bromo-2-pyridyl)azo]propyl-(3-propylanilino)sulfamic acid Formula: C17H22BrN5O3S MolecularWeight: 456.35728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)NN(CCCN=NC2=NC=C(C=C2)Br)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=CC=C1)NN(CCCN=NC2=NC=C(C=C2)Br)S(=O)(=O)O

InChI

InChI=1S/C17H22BrN5O3S/c1-2-5-14-6-3-7-16(12-14)22-23(27(24,25)26)11-4-10-20-21-17-9-8-15(18)13-19-17/h3,6-9,12-13,22H,2,4-5,10-11H2,1H3,(H,24,25,26)