(2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(piazthiol-4-ylsulfonylamino)propionic acid Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H14N4O4S2/c22-17(23)14(8-10-9-18-12-5-2-1-4-11(10)12)21-27(24,25)15-7-3-6-13-16(15)20-26-19-13/h1-7,9,14,18,21H,8H2,(H,22,23)/t14-/m1/s1