(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: 2-(piazthiol-4-ylsulfonylamino)propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(C)NS(=O)(=O)C2=CC=CC3=NSN=C32)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C(C)NS(=O)(=O)C2=CC=CC3=NSN=C32)C)C(C)(C)C

InChI

InChI=1S/C22H27N3O4S2/c1-13-10-16(22(4,5)6)11-14(2)17(13)12-29-21(26)15(3)25-31(27,28)19-9-7-8-18-20(19)24-30-23-18/h7-11,15,25H,12H2,1-6H3