[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-mesitylsulfonylpyrrolidine-2-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3(CCCC3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3(CCCC3)C#N)C

InChI

InChI=1S/C22H29N3O5S/c1-15-11-16(2)20(17(3)12-15)31(28,29)25-10-6-7-18(25)21(27)30-13-19(26)24-22(14-23)8-4-5-9-22/h11-12,18H,4-10,13H2,1-3H3,(H,24,26)