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

Systemtic Name: ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[(1-piazthiol-4-ylsulfonylisonipecotoyl)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)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

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