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

Systemtic Name: ethyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[(1-benzofurazan-4-ylsulfonylisonipecotoyl)amino]benzoic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6S/c1-2-30-21(27)15-6-8-16(9-7-15)22-20(26)14-10-12-25(13-11-14)32(28,29)18-5-3-4-17-19(18)24-31-23-17/h3-9,14H,2,10-13H2,1H3,(H,22,26)