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

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[benzyl-(4-fluorophenyl)sulfonyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-fluorophenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[benzyl-(4-fluorophenyl)sulfonylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[benzyl-(4-fluorophenyl)sulfonyl-amino]acetyl]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)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O5S/c1-2-31-22(28)25-14-12-24(13-15-25)21(27)17-26(16-18-6-4-3-5-7-18)32(29,30)20-10-8-19(23)9-11-20/h3-11H,2,12-17H2,1H3