3-(2,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C22H28N2O6S MolecularWeight: 448.53252

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=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-28-18-5-8-20(9-6-18)31(26,27)24-14-12-23(13-15-24)22(25)11-4-17-16-19(29-2)7-10-21(17)30-3/h5-10,16H,4,11-15H2,1-3H3