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

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O4S/c1-2-26-19(23)15-3-9-18(10-4-15)27(24,25)22-13-11-21(12-14-22)17-7-5-16(20)6-8-17/h3-10H,2,11-14H2,1H3