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

Systemtic Name: tert-butyl 4-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylate Openeye Name: tert-butyl 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylate CAS Name: 4-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid tert-butyl ester Formula: C20H24Cl2N2O4S MolecularWeight: 459.38656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24Cl2N2O4S/c1-20(2,3)28-19(25)12-4-6-13(7-5-12)24-29(26,27)14-8-9-15-16(10-14)18(22)23-11-17(15)21/h8-13,24H,4-7H2,1-3H3