[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-15-10-12-18(13-11-15)29(26,27)23-14-6-9-19(23)21(25)28-16(2)20(24)22-17-7-4-3-5-8-17/h3-5,7-8,10-13,16,19H,6,9,14H2,1-2H3,(H,22,24)/t16-,19+/m1/s1