[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl 2-azanyl-2-methyl-propanoate

Systemtic Name: [1,4-bis(chloranyl)isoquinolin-7-yl]sulfonyl 2-azanyl-2-methyl-propanoate Openeye Name: (1,4-dichloro-7-isoquinolyl)sulfonyl 2-amino-2-methyl-propanoate CAS Name: 2-amino-2-methylpropanoic acid (1,4-dichloro-7-isoquinolinyl)sulfonyl ester IUPAC Name: (1,4-dichloroisoquinolin-7-yl)sulfonyl 2-amino-2-methylpropanoate Traditional Name: 2-amino-2-methyl-propionic acid (1,4-dichloro-7-isoquinolyl)sulfonyl ester Formula: C13H12Cl2N2O4S MolecularWeight: 363.21638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl)N

Isomeric SMILES

CC(C)(C(=O)OS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl)N

InChI

InChI=1S/C13H12Cl2N2O4S/c1-13(2,16)12(18)21-22(19,20)7-3-4-8-9(5-7)11(15)17-6-10(8)14/h3-6H,16H2,1-2H3