ethyl 2-(isoquinolin-5-ylsulfonylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-(isoquinolin-5-ylsulfonylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-(5-isoquinolylsulfonylamino)-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-(5-isoquinolinylsulfonylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(isoquinolin-5-ylsulfonylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(5-isoquinolylsulfonylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C24H29N3O6S2 MolecularWeight: 519.63356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C24H29N3O6S2/c1-3-33-24(28)22(8-4-5-15-26-34(29,30)20-12-10-18(2)11-13-20)27-35(31,32)23-9-6-7-19-17-25-16-14-21(19)23/h6-7,9-14,16-17,22,26-27H,3-5,8,15H2,1-2H3