ethyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-pyrrolidinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCCC2C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCCC2C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O6S/c1-2-28-21(25)18-9-10-19(29-18)30(26,27)23-12-5-8-17(23)20(24)22-13-11-15-6-3-4-7-16(15)14-22/h3-4,6-7,9-10,17H,2,5,8,11-14H2,1H3