O1-tert-butyl O2-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C19H25ClN2O7S MolecularWeight: 460.929

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H25ClN2O7S/c1-19(2,3)29-18(25)22-9-5-6-15(22)17(24)28-11-16(23)21-14-10-12(30(4,26)27)7-8-13(14)20/h7-8,10,15H,5-6,9,11H2,1-4H3,(H,21,23)/t15-/m0/s1