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

Systemtic Name: (2-fluorophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (2-fluorophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoate Traditional Name: 3-methyl-2-(piazthiol-4-ylsulfonylamino)butyric acid (2-fluorobenzyl) ester Formula: C18H18FN3O4S2 MolecularWeight: 423.481623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1F)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1F)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H18FN3O4S2/c1-11(2)16(18(23)26-10-12-6-3-4-7-13(12)19)22-28(24,25)15-9-5-8-14-17(15)21-27-20-14/h3-9,11,16,22H,10H2,1-2H3