propyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: propyl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: propyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid propyl ester IUPAC Name: propyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid propyl ester Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22ClFN2O4S/c1-2-13-28-20(25)15-3-8-18(21)19(14-15)29(26,27)24-11-9-23(10-12-24)17-6-4-16(22)5-7-17/h3-8,14H,2,9-13H2,1H3