tert-butyl (2R)-1-[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylpiperidine-2-carboxylate

Systemtic Name: tert-butyl (2R)-1-[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylpiperidine-2-carboxylate Openeye Name: tert-butyl (2R)-1-[(1,4-dichloro-7-isoquinolyl)sulfonyl]piperidine-2-carboxylate CAS Name: (2R)-1-[(1,4-dichloro-7-isoquinolinyl)sulfonyl]-2-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-1-(1,4-dichloroisoquinolin-7-yl)sulfonylpiperidine-2-carboxylate Traditional Name: (2R)-1-[(1,4-dichloro-7-isoquinolyl)sulfonyl]pipecolinic acid tert-butyl ester Formula: C19H22Cl2N2O4S MolecularWeight: 445.35998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O4S/c1-19(2,3)27-18(24)16-6-4-5-9-23(16)28(25,26)12-7-8-13-14(10-12)17(21)22-11-15(13)20/h7-8,10-11,16H,4-6,9H2,1-3H3/t16-/m1/s1