2-chloranylprop-2-enyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 2-chloranylprop-2-enyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: 2-chloroallyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid 2-chloroallyl ester Formula: C20H20ClFN2O4S MolecularWeight: 438.900203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFN2O4S/c1-15(21)14-28-20(25)16-3-2-4-19(13-16)29(26,27)24-11-9-23(10-12-24)18-7-5-17(22)6-8-18/h2-8,13H,1,9-12,14H2