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

Systemtic Name: methyl 4-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-1-methyl-piperidine-4-carboxylate Openeye Name: methyl 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-1-methyl-piperidine-4-carboxylate CAS Name: 4-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-1-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-1-methylpiperidine-4-carboxylate Traditional Name: 4-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-1-methyl-isonipecotic acid methyl ester Formula: C17H19Cl2N3O4S MolecularWeight: 432.32146

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CN1CCC(CC1)(C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O4S/c1-22-7-5-17(6-8-22,16(23)26-2)21-27(24,25)11-3-4-12-13(9-11)15(19)20-10-14(12)18/h3-4,9-10,21H,5-8H2,1-2H3