(2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-27-16-9-11-17(12-10-16)29(25,26)22-13-5-8-18(22)20(24)28-14-19(23)21-15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,23)/t18-/m0/s1