3-[[4-[(5-nitropyridin-2-yl)diazenyl]-3-oxidanidyl-phenyl]-propyl-amino]propane-1-sulfonate

Systemtic Name: 3-[[4-[(5-nitropyridin-2-yl)diazenyl]-3-oxidanidyl-phenyl]-propyl-amino]propane-1-sulfonate Openeye Name: 3-[4-[(5-nitro-2-pyridyl)azo]-3-oxido-N-propyl-anilino]propane-1-sulfonate CAS Name: 3-[4-[(5-nitro-2-pyridinyl)azo]-3-oxido-N-propylanilino]-1-propanesulfonate IUPAC Name: 3-[4-[(5-nitropyridin-2-yl)diazenyl]-3-oxido-N-propylanilino]propane-1-sulfonate Traditional Name: 3-[4-[(5-nitro-2-pyridyl)azo]-3-oxido-N-propyl-anilino]propane-1-sulfonate Formula: C17H19N5O6S-2 MolecularWeight: 421.42766

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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)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O6S/c1-2-8-21(9-3-10-29(26,27)28)13-4-6-15(16(23)11-13)19-20-17-7-5-14(12-18-17)22(24)25/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,26,27,28)/p-2