ethyl 4-[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[methyl(piazthiol-4-ylsulfonyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H18N4O5S2/c1-3-27-18(24)12-7-9-13(10-8-12)19-16(23)11-22(2)29(25,26)15-6-4-5-14-17(15)21-28-20-14/h4-10H,3,11H2,1-2H3,(H,19,23)