(3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-butanoic acid

Systemtic Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-butanoic acid Openeye Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-butanoic acid CAS Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylbutanoic acid IUPAC Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylbutanoic acid Traditional Name: (3S)-3-phenyl-4-(piazthiol-4-ylsulfonylamino)butyric acid Formula: C16H15N3O4S2 MolecularWeight: 377.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CNS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)O)CNS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H15N3O4S2/c20-15(21)9-12(11-5-2-1-3-6-11)10-17-25(22,23)14-8-4-7-13-16(14)19-24-18-13/h1-8,12,17H,9-10H2,(H,20,21)/t12-/m1/s1