methyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylate CAS Name: 1-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: 1-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid methyl ester Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C17H18Cl2N2O4S/c1-25-16(22)17(7-3-2-4-8-17)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