1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-mesitylsulfonyl-4-piperonyl-piperazine Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15-10-16(2)21(17(3)11-15)28(24,25)23-8-6-22(7-9-23)13-18-4-5-19-20(12-18)27-14-26-19/h4-5,10-12H,6-9,13-14H2,1-3H3