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

Systemtic Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid Openeye Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid CAS Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-methoxyphenyl)-3-(piazthiol-4-ylsulfonylamino)propionic acid Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H15N3O5S2/c1-24-11-7-5-10(6-8-11)13(9-15(20)21)19-26(22,23)14-4-2-3-12-16(14)18-25-17-12/h2-8,13,19H,9H2,1H3,(H,20,21)/t13-/m0/s1