ethyl 4-[3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(4-fluorophenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(4-fluorobenzyl)carbamoyl]piperidino]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H29FN4O5S MolecularWeight: 456.531463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H29FN4O5S/c1-2-30-20(27)23-10-12-24(13-11-23)31(28,29)25-9-3-4-17(15-25)19(26)22-14-16-5-7-18(21)8-6-16/h5-8,17H,2-4,9-15H2,1H3,(H,22,26)