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

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (2R)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2R)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R)-1-tosylpyrrolidine-2-carboxylic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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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=C(C=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S/c1-15-6-12-20(13-7-15)33(30,31)26-14-4-5-21(26)23(29)32-16(2)22(28)25-19-10-8-18(9-11-19)24-17(3)27/h6-13,16,21H,4-5,14H2,1-3H3,(H,24,27)(H,25,28)/t16-,21+/m0/s1