tert-butyl 1-(4-bromanyl-1-chloranyl-isoquinolin-7-yl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-(4-bromanyl-1-chloranyl-isoquinolin-7-yl)sulfonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[(4-bromo-1-chloro-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[(4-bromo-1-chloro-7-isoquinolinyl)sulfonyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-bromo-1-chloroisoquinolin-7-yl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(4-bromo-1-chloro-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C18H20BrClN2O4S MolecularWeight: 475.7844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Br

InChI

InChI=1S/C18H20BrClN2O4S/c1-18(2,3)26-17(23)15-5-4-8-22(15)27(24,25)11-6-7-12-13(9-11)16(20)21-10-14(12)19/h6-7,9-10,15H,4-5,8H2,1-3H3