methyl 4-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]oxane-4-carboxylate

Systemtic Name: methyl 4-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]oxane-4-carboxylate Openeye Name: methyl 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]tetrahydropyran-4-carboxylate CAS Name: 4-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]oxane-4-carboxylate Traditional Name: 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]tetrahydropyran-4-carboxylic acid methyl ester Formula: C16H16Cl2N2O5S MolecularWeight: 419.27964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

COC(=O)C1(CCOCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O5S/c1-24-15(21)16(4-6-25-7-5-16)20-26(22,23)10-2-3-11-12(8-10)14(18)19-9-13(11)17/h2-3,8-9,20H,4-7H2,1H3