[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H28N2O6S/c1-4-14(5-2)20-18(22)13-27-19(23)17-7-6-12-21(17)28(24,25)16-10-8-15(26-3)9-11-16/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,20,22)/t17-/m0/s1