2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H26N2O5S2 MolecularWeight: 462.58224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H26N2O5S2/c1-16-3-6-21(17(2)13-16)31(26,27)24-9-7-23(8-10-24)22(25)15-30-18-4-5-19-20(14-18)29-12-11-28-19/h3-6,13-14H,7-12,15H2,1-2H3