3-[3-[[2,3-dihydro-1-benzofuran-5-ylmethyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[2,3-dihydro-1-benzofuran-5-ylmethyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl(2,3-dihydrobenzofuran-5-ylmethyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl(2,3-dihydrobenzofuran-5-ylmethyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl(2,3-dihydro-1-benzofuran-5-ylmethyl)amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[besyl(coumaran-5-ylmethyl)amino]methyl]phenyl]propionic acid Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN(CC3=CC=CC(=C3)CCC(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN(CC3=CC=CC(=C3)CCC(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S/c27-25(28)12-10-19-5-4-6-20(15-19)17-26(32(29,30)23-7-2-1-3-8-23)18-21-9-11-24-22(16-21)13-14-31-24/h1-9,11,15-16H,10,12-14,17-18H2,(H,27,28)