ethyl 4-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-fluorobenzyl)-mesyl-amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26FN3O5S MolecularWeight: 463.522343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C22H26FN3O5S/c1-3-31-22(28)25-14-12-24(13-15-25)21(27)17-8-10-19(11-9-17)26(32(2,29)30)16-18-6-4-5-7-20(18)23/h4-11H,3,12-16H2,1-2H3