(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-chloro-7-methoxy-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-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-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-7-methoxy-3-quinolyl)methyl ester Formula: C22H20ClNO7S MolecularWeight: 477.9147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)CCS(=O)(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C22H20ClNO7S/c1-28-16-3-2-14-10-15(22(23)24-18(14)11-16)13-31-21(25)6-9-32(26,27)17-4-5-19-20(12-17)30-8-7-29-19/h2-5,10-12H,6-9,13H2,1H3