ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[(1-piazthiol-4-ylsulfonylnipecotoyl)amino]benzoic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H22N4O5S2/c1-2-30-21(27)14-6-3-8-16(12-14)22-20(26)15-7-5-11-25(13-15)32(28,29)18-10-4-9-17-19(18)24-31-23-17/h3-4,6,8-10,12,15H,2,5,7,11,13H2,1H3,(H,22,26)