methyl (2S,4S)-4-[ethanoyl(oxidanyl)amino]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[ethanoyl(oxidanyl)amino]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[acetyl(hydroxy)amino]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[acetyl(hydroxy)amino]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[acetyl(hydroxy)amino]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[acetyl(hydroxy)amino]-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N(C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)OC)N(C(=O)C)O

InChI

InChI=1S/C15H20N2O6S/c1-10-4-6-13(7-5-10)24(21,22)16-9-12(17(20)11(2)18)8-14(16)15(19)23-3/h4-7,12,14,20H,8-9H2,1-3H3/t12-,14-/m0/s1