6,7,8,9-tetrahydrodibenzofuran-2-yl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 6,7,8,9-tetrahydrodibenzofuran-2-yl ester IUPAC Name: 6,7,8,9-tetrahydrodibenzofuran-2-yl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid 6,7,8,9-tetrahydrodibenzofuran-2-yl ester Formula: C28H25NO5S MolecularWeight: 487.5668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3)OC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C28H25NO5S/c30-28(33-22-12-13-27-25(17-22)24-10-3-4-11-26(24)34-27)20-8-5-9-23(16-20)35(31,32)29-15-14-19-6-1-2-7-21(19)18-29/h1-2,5-9,12-13,16-17H,3-4,10-11,14-15,18H2