methyl 3-[[3-oxidanylidene-2-[2-oxidanylidene-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxalin-1-yl]sulfonyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-oxidanylidene-2-[2-oxidanylidene-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxalin-1-yl]sulfonyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-oxo-2-[2-oxo-2-[2-(4-pyridyl)ethylamino]ethyl]-2,4-dihydroquinoxalin-1-yl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[3-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxalin-1-yl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,4-dihydroquinoxalin-1-yl]sulfonyl]thiophene-2-carboxylate Traditional Name: 3-[[3-keto-2-[2-keto-2-[2-(4-pyridyl)ethylamino]ethyl]-2,4-dihydroquinoxalin-1-yl]sulfonyl]thiophene-2-carboxylic acid methyl ester Formula: C23H22N4O6S2 MolecularWeight: 514.57398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)NCCC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2C(C(=O)NC3=CC=CC=C32)CC(=O)NCCC4=CC=NC=C4

InChI

InChI=1S/C23H22N4O6S2/c1-33-23(30)21-19(9-13-34-21)35(31,32)27-17-5-3-2-4-16(17)26-22(29)18(27)14-20(28)25-12-8-15-6-10-24-11-7-15/h2-7,9-11,13,18H,8,12,14H2,1H3,(H,25,28)(H,26,29)