ethyl 4-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]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)C(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3O5S/c1-3-25-16(22)20-10-8-19(9-11-20)15(21)12-18(2)26(23,24)14-6-4-13(17)5-7-14/h4-7H,3,8-12H2,1-2H3