ethyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-2,2-dimethyl-propanoate CAS Name: 3-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-2,2-dimethylpropanoate Traditional Name: 3-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-2,2-dimethyl-propionic acid ethyl ester Formula: C16H18Cl2N2O4S MolecularWeight: 405.29612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CNS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C(C)(C)CNS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O4S/c1-4-24-15(21)16(2,3)9-20-25(22,23)10-5-6-11-12(7-10)14(18)19-8-13(11)17/h5-8,20H,4,9H2,1-3H3