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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=C(C=C4)C(=O)O

InChI

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