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

Systemtic Name: tert-butyl 1-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]pyrrolidine-2-carboxylate CAS Name: 1-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]pyrrolidine-2-carboxylate Traditional Name: 1-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C18H21Cl2N3O4S MolecularWeight: 446.34804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O4S/c1-18(2,3)27-17(24)15-5-4-8-23(15)22-28(25,26)11-6-7-12-13(9-11)16(20)21-10-14(12)19/h6-7,9-10,15,22H,4-5,8H2,1-3H3