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

Systemtic Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoic acid Openeye Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoic acid CAS Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid IUPAC Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid Traditional Name: (3S)-3-phenyl-3-(piazthiol-4-ylsulfonylamino)propionic acid Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S2/c19-14(20)9-12(10-5-2-1-3-6-10)18-24(21,22)13-8-4-7-11-15(13)17-23-16-11/h1-8,12,18H,9H2,(H,19,20)/t12-/m0/s1