[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonyl)propanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H15N3O5S2/c21-15(18-13-7-4-8-14-17(13)20-26-19-14)11-25-16(22)9-10-27(23,24)12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,21)