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

Systemtic Name: ethyl 4-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylate CAS Name: 4-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid ethyl ester Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O4S/c1-2-26-18(23)11-3-5-12(6-4-11)22-27(24,25)13-7-8-14-15(9-13)17(20)21-10-16(14)19/h7-12,22H,2-6H2,1H3