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

Systemtic Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-butanoate Openeye Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-butanoate CAS Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylbutanoate IUPAC Name: (3S)-4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylbutanoate Traditional Name: (3S)-3-phenyl-4-(piazthiol-4-ylsulfonylamino)butyrate Formula: C16H14N3O4S2- MolecularWeight: 376.43006

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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)/p-1/t12-/m1/s1