2-[3-[[1,3-benzodioxol-5-ylmethyl(pyridin-3-ylsulfonyl)amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[1,3-benzodioxol-5-ylmethyl(pyridin-3-ylsulfonyl)amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[1,3-benzodioxol-5-ylmethyl(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[1,3-benzodioxol-5-ylmethyl(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[1,3-benzodioxol-5-ylmethyl(pyridin-3-ylsulfonyl)amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[piperonyl(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H20N2O6S/c25-22(26)11-16-3-1-4-17(9-16)13-24(31(27,28)19-5-2-8-23-12-19)14-18-6-7-20-21(10-18)30-15-29-20/h1-10,12H,11,13-15H2,(H,25,26)