tert-butyl 5-azanyl-2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: tert-butyl 5-azanyl-2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-amino-2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-5-oxo-pentanoate CAS Name: 5-amino-2-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-5-oxopentanoate Traditional Name: 5-amino-2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]-5-keto-valeric acid tert-butyl ester Formula: C18H21Cl2N3O5S MolecularWeight: 462.34744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3O5S/c1-18(2,3)28-17(25)14(6-7-15(21)24)23-29(26,27)10-4-5-11-12(8-10)16(20)22-9-13(11)19/h4-5,8-9,14,23H,6-7H2,1-3H3,(H2,21,24)