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

Systemtic Name: 3-(2,3-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,3-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2,3-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,3-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,3-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H28N2O5S/c1-17-5-4-6-21(18(17)2)29-16-11-22(25)23-12-14-24(15-13-23)30(26,27)20-9-7-19(28-3)8-10-20/h4-10H,11-16H2,1-3H3