tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-3-methyl-butyric acid tert-butyl ester Formula: C18H22Cl2N2O4S MolecularWeight: 433.34928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

InChI

InChI=1S/C18H22Cl2N2O4S/c1-10(2)15(17(23)26-18(3,4)5)22-27(24,25)11-6-7-12-13(8-11)16(20)21-9-14(12)19/h6-10,15,22H,1-5H3