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

Systemtic Name: methyl (2S,4R)-4-[acetyloxy(ethanoyl)amino]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[acetoxy(acetyl)amino]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[acetyl(acetyloxy)amino]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[acetyl(acetyloxy)amino]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-[acetoxy(acetyl)amino]-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O7S/c1-11-5-7-15(8-6-11)27(23,24)18-10-14(9-16(18)17(22)25-4)19(12(2)20)26-13(3)21/h5-8,14,16H,9-10H2,1-4H3/t14-,16+/m1/s1