3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C21H25FN2O5S MolecularWeight: 436.497003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O5S/c1-28-17-5-7-18(8-6-17)30(26,27)24-13-11-23(12-14-24)21(25)10-4-16-3-9-20(29-2)19(22)15-16/h3,5-9,15H,4,10-14H2,1-2H3