(4-nitrophenyl)methyl 4-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[[2-(3-methylsulfonyloxyazetidin-1-yl)thiazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-(3-methylsulfonyloxy-1-azetidinyl)-4-thiazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(3-methylsulfonyloxyazetidin-1-yl)thiazole-4-carbonyl]amino]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H25N5O8S2 MolecularWeight: 539.5819

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(C1)C2=NC(=CS2)C(=O)NC3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CN(C1)C2=NC(=CS2)C(=O)NC3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O8S2/c1-36(31,32)34-17-10-25(11-17)20-23-18(13-35-20)19(27)22-15-6-8-24(9-7-15)21(28)33-12-14-2-4-16(5-3-14)26(29)30/h2-5,13,15,17H,6-12H2,1H3,(H,22,27)