tert-butyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O4S/c1-16(2,3)24-14(21)6-7-20-25(22,23)10-4-5-11-12(8-10)15(18)19-9-13(11)17/h4-5,8-9,20H,6-7H2,1-3H3