3-oxidanylidene-2-[2-oxidanylidene-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxaline-1-sulfinate

Systemtic Name: 3-oxidanylidene-2-[2-oxidanylidene-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxaline-1-sulfinate Openeye Name: 3-oxo-2-[2-oxo-2-[2-(4-pyridyl)ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinate CAS Name: 3-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxaline-1-sulfinate IUPAC Name: 3-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxaline-1-sulfinate Traditional Name: 3-keto-2-[2-keto-2-[2-(4-pyridyl)ethylamino]ethyl]-2,4-dihydroquinoxaline-1-sulfinate Formula: C17H17N4O4S- MolecularWeight: 373.40628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(N2S(=O)[O-])CC(=O)NCCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(N2S(=O)[O-])CC(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C17H18N4O4S/c22-16(19-10-7-12-5-8-18-9-6-12)11-15-17(23)20-13-3-1-2-4-14(13)21(15)26(24)25/h1-6,8-9,15H,7,10-11H2,(H,19,22)(H,20,23)(H,24,25)/p-1