quinolin-8-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: quinolin-8-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: 8-quinolylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid 8-quinolylmethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19NO6S/c23-20(28-14-16-4-1-3-15-5-2-9-22-21(15)16)8-12-29(24,25)17-6-7-18-19(13-17)27-11-10-26-18/h1-7,9,13H,8,10-12,14H2