propan-2-yl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoate

Systemtic Name: propan-2-yl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoate Openeye Name: isopropyl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoate CAS Name: (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoate Traditional Name: (3S)-3-phenyl-3-(piazthiol-4-ylsulfonylamino)propionic acid isopropyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S2/c1-12(2)25-17(22)11-15(13-7-4-3-5-8-13)21-27(23,24)16-10-6-9-14-18(16)20-26-19-14/h3-10,12,15,21H,11H2,1-2H3/t15-/m0/s1