[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26ClN3O5S/c24-18-8-10-20(11-9-18)33(30,31)27-12-4-7-21(27)23(29)32-17-22(28)26-15-13-25(14-16-26)19-5-2-1-3-6-19/h1-3,5-6,8-11,21H,4,7,12-17H2/t21-/m0/s1