tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: tert-butyl 6-(tert-butoxycarbonylamino)-2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]hexanoate CAS Name: 2-[(1,4-dichloro-7-isoquinolinyl)sulfonylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(1,4-dichloroisoquinolin-7-yl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 6-(tert-butoxycarbonylamino)-2-[(1,4-dichloro-7-isoquinolyl)sulfonylamino]hexanoic acid tert-butyl ester Formula: C24H33Cl2N3O6S MolecularWeight: 562.50632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33Cl2N3O6S/c1-23(2,3)34-21(30)19(9-7-8-12-27-22(31)35-24(4,5)6)29-36(32,33)15-10-11-16-17(13-15)20(26)28-14-18(16)25/h10-11,13-14,19,29H,7-9,12H2,1-6H3,(H,27,31)