propan-2-yl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate

Systemtic Name: propan-2-yl 4-chloranyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate Openeye Name: isopropyl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[4-(4-fluorophenyl)piperazino]sulfonyl-benzoic acid isopropyl ester Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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