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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-13(2)11-19-17(21)12-26-18(22)16-5-4-10-20(16)27(23,24)15-8-6-14(25-3)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,21)/t16-/m0/s1