2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]cyclohexane-1-carboxylic acid Openeye Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]cyclohexanecarboxylic acid Formula: C16H16Cl2N2O4S MolecularWeight: 403.28024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

C1CCC(C(C1)C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O4S/c17-13-8-19-15(18)12-7-9(5-6-10(12)13)25(23,24)20-14-4-2-1-3-11(14)16(21)22/h5-8,11,14,20H,1-4H2,(H,21,22)