2-[5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(1,3-benzodioxol-5-yl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14-2-4-17(10-15(14)11-20(23)24)29(25,26)22-8-6-21(7-9-22)16-3-5-18-19(12-16)28-13-27-18/h2-5,10,12H,6-9,11,13H2,1H3,(H,23,24)