[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H24ClFN2O5S MolecularWeight: 530.995563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H24ClFN2O5S/c1-18-2-4-19(5-3-18)24(31)17-35-26(32)20-6-11-23(27)25(16-20)36(33,34)30-14-12-29(13-15-30)22-9-7-21(28)8-10-22/h2-11,16H,12-15,17H2,1H3