ethyl 4-[2-[(4-fluorophenyl)carbonylamino]ethylsulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)carbonylamino]ethylsulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylsulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H22FN3O5S MolecularWeight: 387.426383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3O5S/c1-2-25-16(22)19-8-10-20(11-9-19)26(23,24)12-7-18-15(21)13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3,(H,18,21)