2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 2-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 2-[(1-piazthiol-4-ylsulfonylisonipecotoyl)amino]benzoic acid Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H18N4O5S2/c24-18(20-14-5-2-1-4-13(14)19(25)26)12-8-10-23(11-9-12)30(27,28)16-7-3-6-15-17(16)22-29-21-15/h1-7,12H,8-11H2,(H,20,24)(H,25,26)