tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-3-methoxy-propanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-3-methoxy-propanoate Openeye Name: tert-butyl 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-3-methoxy-propanoate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-3-methoxypropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-3-methoxypropanoate Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-3-methoxy-propionic acid tert-butyl ester Formula: C17H20Cl2N2O5S MolecularWeight: 435.3221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N2O5S/c1-17(2,3)26-16(22)14(9-25-4)21-27(23,24)10-5-6-11-12(7-10)15(19)20-8-13(11)18/h5-8,14,21H,9H2,1-4H3