3-[3-[[1,3-benzodioxol-5-ylmethyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[1,3-benzodioxol-5-ylmethyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl(1,3-benzodioxol-5-ylmethyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl(1,3-benzodioxol-5-ylmethyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl(1,3-benzodioxol-5-ylmethyl)amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl(piperonyl)amino]methyl]phenyl]propionic acid Formula: C24H23NO6S MolecularWeight: 453.50752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO6S/c26-24(27)12-10-18-5-4-6-19(13-18)15-25(32(28,29)21-7-2-1-3-8-21)16-20-9-11-22-23(14-20)31-17-30-22/h1-9,11,13-14H,10,12,15-17H2,(H,26,27)