1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4-bis(methylsulfonyl)phenyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4-bis(methylsulfonyl)phenyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4-bis(methylsulfonyl)phenyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4-bis(methylsulfonyl)phenyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,4-bis(methylsulfonyl)phenyl]piperazine Traditional Name: 1-(2,4-dimesylphenyl)-4-piperonyl-piperazine Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6S2/c1-29(23,24)16-4-5-17(20(12-16)30(2,25)26)22-9-7-21(8-10-22)13-15-3-6-18-19(11-15)28-14-27-18/h3-6,11-12H,7-10,13-14H2,1-2H3