ethyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26FN3O5S2 MolecularWeight: 495.587343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O5S2/c1-3-31-22(28)25-13-11-24(12-14-25)21(27)16-26(18-6-4-5-17(23)15-18)33(29,30)20-9-7-19(32-2)8-10-20/h4-10,15H,3,11-14,16H2,1-2H3