ethyl 5-[4-(2H-chromen-3-ylcarbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(2H-chromen-3-ylcarbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-[2H-1-benzopyran-3-yl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(2H-chromene-3-carbonyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H22N2O7S/c1-2-28-21(25)18-7-8-19(30-18)31(26,27)23-11-9-22(10-12-23)20(24)16-13-15-5-3-4-6-17(15)29-14-16/h3-8,13H,2,9-12,14H2,1H3