1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfonyl]-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)sulfonyl-1-(4-piperonylpiperazino)ethanone Formula: C24H28N2O7S MolecularWeight: 488.55332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O7S/c1-17(27)19-4-6-21(31-2)20(12-19)14-34(29,30)15-24(28)26-9-7-25(8-10-26)13-18-3-5-22-23(11-18)33-16-32-22/h3-6,11-12H,7-10,13-16H2,1-2H3