(1-phenylpyrazol-4-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl (2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-tosylpyrrolidine-2-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-17-9-11-20(12-10-17)30(27,28)25-13-5-8-21(25)22(26)29-16-18-14-23-24(15-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,21H,5,8,13,16H2,1H3/t21-/m0/s1