(phenylmethyl) 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methyl-pentanoate Openeye Name: benzyl 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methyl-pentanoate CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonylmethyl]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-4-methylpentanoate Traditional Name: 2-[[4-(4-fluorophenyl)piperazino]sulfonylmethyl]-4-methyl-valeric acid benzyl ester Formula: C24H31FN2O4S MolecularWeight: 462.577343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H31FN2O4S/c1-19(2)16-21(24(28)31-17-20-6-4-3-5-7-20)18-32(29,30)27-14-12-26(13-15-27)23-10-8-22(25)9-11-23/h3-11,19,21H,12-18H2,1-2H3