[4-(phenylcarbamoyl)phenyl]methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-19-9-15-23(16-10-19)34(31,32)28-17-5-8-24(28)26(30)33-18-20-11-13-21(14-12-20)25(29)27-22-6-3-2-4-7-22/h2-4,6-7,9-16,24H,5,8,17-18H2,1H3,(H,27,29)/t24-/m0/s1