1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazine Traditional Name: 1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-piperonyl-piperazine Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N2O4S/c1-17-3-4-18(2)22(13-17)29(25,26)12-11-23-7-9-24(10-8-23)15-19-5-6-20-21(14-19)28-16-27-20/h3-6,13-14H,7-12,15-16H2,1-2H3