tert-butyl (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,4Z)-4-(cyanomethylene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4Z)-4-(cyanomethylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4Z)-4-(cyanomethylene)-1-tosyl-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC#N)CC2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C#N)/C[C@H]2C(=O)OC(C)(C)C

InChI

InChI=1S/C18H22N2O4S/c1-13-5-7-15(8-6-13)25(22,23)20-12-14(9-10-19)11-16(20)17(21)24-18(2,3)4/h5-9,16H,11-12H2,1-4H3/b14-9-/t16-/m0/s1