1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-isobutylphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine Traditional Name: 1-(4-isobutylphenyl)sulfonyl-4-piperonyl-piperazine Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

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