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

Systemtic Name: ethyl 4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26FN3O5S MolecularWeight: 427.490243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H26FN3O5S/c1-2-28-19(25)22-12-10-21(11-13-22)18(24)15-4-3-9-23(14-15)29(26,27)17-7-5-16(20)6-8-17/h5-8,15H,2-4,9-14H2,1H3/t15-/m0/s1