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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O4S/c22-17-8-10-19(11-9-17)30(27,28)25-12-4-7-20(25)21(26)29-15-16-13-23-24(14-16)18-5-2-1-3-6-18/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2/t20-/m0/s1