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

Systemtic Name: (4-nitrophenyl)methyl 1-[[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazol-4-yl]carbonyl]piperazine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-[2-(3-methylsulfonyloxyazetidin-1-yl)thiazole-4-carbonyl]piperazine-2-carboxylate CAS Name: 1-[[2-(3-methylsulfonyloxy-1-azetidinyl)-4-thiazolyl]-oxomethyl]-2-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-[2-(3-methylsulfonyloxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]piperazine-2-carboxylate Traditional Name: 1-[2-(3-methylsulfonyloxyazetidin-1-yl)thiazole-4-carbonyl]piperazine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H23N5O8S2 MolecularWeight: 525.55532

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CN(C1)C2=NC(=CS2)C(=O)N3CCNCC3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CN(C1)C2=NC(=CS2)C(=O)N3CCNCC3C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O8S2/c1-35(30,31)33-15-9-23(10-15)20-22-16(12-34-20)18(26)24-7-6-21-8-17(24)19(27)32-11-13-2-4-14(5-3-13)25(28)29/h2-5,12,15,17,21H,6-11H2,1H3