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

Systemtic Name: tert-butyl 3-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]benzoate Openeye Name: tert-butyl 3-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]benzoate CAS Name: 3-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]benzoate Traditional Name: 3-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]benzoic acid tert-butyl ester Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C20H18Cl2N2O4S/c1-20(2,3)28-19(25)12-5-4-6-13(9-12)24-29(26,27)14-7-8-15-16(10-14)18(22)23-11-17(15)21/h4-11,24H,1-3H3