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

Systemtic Name: 4-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[(1-piazthiol-4-ylsulfonylisonipecotoyl)amino]methyl]benzoic acid Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H20N4O5S2/c25-19(21-12-13-4-6-15(7-5-13)20(26)27)14-8-10-24(11-9-14)31(28,29)17-3-1-2-16-18(17)23-30-22-16/h1-7,14H,8-12H2,(H,21,25)(H,26,27)