(2-chloranylquinolin-3-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-chloro-3-quinolyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-chloro-3-quinolyl)methyl ester Formula: C21H18ClNO6S MolecularWeight: 447.88872

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C21H18ClNO6S/c22-21-15(11-14-3-1-2-4-17(14)23-21)13-29-20(24)7-10-30(25,26)16-5-6-18-19(12-16)28-9-8-27-18/h1-6,11-12H,7-10,13H2