[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C18H17BrN4O5S2 MolecularWeight: 513.38538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)OCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)OCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4O5S2/c19-12-6-8-13(9-7-12)21-16(24)11-28-17(25)5-2-10-20-30(26,27)15-4-1-3-14-18(15)23-29-22-14/h1,3-4,6-9,20H,2,5,10-11H2,(H,21,24)