ethyl 4-[4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(1R)-1-(4-fluorophenyl)ethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1R)-1-(4-fluorophenyl)ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)[C@H](C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-3-28-21(25)18-6-10-20(11-7-18)29(26,27)24-14-12-23(13-15-24)16(2)17-4-8-19(22)9-5-17/h4-11,16H,3,12-15H2,1-2H3/t16-/m1/s1