ethyl (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]nipecotic acid ethyl ester Formula: C20H27FN2O5S MolecularWeight: 426.502183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN2O5S/c1-2-28-20(25)16-6-3-11-22(13-16)19(24)15-5-4-12-23(14-15)29(26,27)18-9-7-17(21)8-10-18/h7-10,15-16H,2-6,11-14H2,1H3/t15-,16-/m0/s1