1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-piperonyloxy-propan-2-ol Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COCC3=CC4=C(C=C3)OCO4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COCC3=CC4=C(C=C3)OCO4)O)C

InChI

InChI=1S/C23H30N2O6S/c1-17-3-6-23(18(2)11-17)32(27,28)25-9-7-24(8-10-25)13-20(26)15-29-14-19-4-5-21-22(12-19)31-16-30-21/h3-6,11-12,20,26H,7-10,13-16H2,1-2H3