(4-cyanophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (4-cyanophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate Traditional Name: 3-methyl-2-(piazthiol-4-ylsulfonylamino)butyric acid (4-cyanobenzyl) ester Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)C#N)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C19H18N4O4S2/c1-12(2)17(19(24)27-11-14-8-6-13(10-20)7-9-14)23-29(25,26)16-5-3-4-15-18(16)22-28-21-15/h3-9,12,17,23H,11H2,1-2H3