[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C19H25FN2O5S MolecularWeight: 412.475603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H25FN2O5S/c20-14-8-10-16(11-9-14)28(25,26)22-12-4-7-17(22)19(24)27-13-18(23)21-15-5-2-1-3-6-15/h8-11,15,17H,1-7,12-13H2,(H,21,23)/t17-/m0/s1