methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[(1-benzofurazan-4-ylsulfonylisonipecotoyl)amino]benzoic acid methyl ester Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C20H20N4O6S/c1-29-20(26)14-5-7-15(8-6-14)21-19(25)13-9-11-24(12-10-13)31(27,28)17-4-2-3-16-18(17)23-30-22-16/h2-8,13H,9-12H2,1H3,(H,21,25)