[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H21N3O6S/c1-25-13-5-7-14(8-6-13)27(23,24)20-11-2-4-15(20)17(22)26-12-16(21)19-10-3-9-18/h5-8,15H,2-4,10-12H2,1H3,(H,19,21)/t15-/m0/s1