ethyl 1-[(4-bromanyl-1-chloranyl-isoquinolin-7-yl)sulfonylamino]cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[(4-bromanyl-1-chloranyl-isoquinolin-7-yl)sulfonylamino]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(4-bromo-1-chloro-7-isoquinolyl)sulfonylamino]cyclopentanecarboxylate CAS Name: 1-[(4-bromo-1-chloro-7-isoquinolinyl)sulfonylamino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromo-1-chloroisoquinolin-7-yl)sulfonylamino]cyclopentane-1-carboxylate Traditional Name: 1-[(4-bromo-1-chloro-7-isoquinolyl)sulfonylamino]cyclopentanecarboxylic acid ethyl ester Formula: C17H18BrClN2O4S MolecularWeight: 461.75782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Br

Isomeric SMILES

CCOC(=O)C1(CCCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Br

InChI

InChI=1S/C17H18BrClN2O4S/c1-2-25-16(22)17(7-3-4-8-17)21-26(23,24)11-5-6-12-13(9-11)15(19)20-10-14(12)18/h5-6,9-10,21H,2-4,7-8H2,1H3