2-[(2,2-dimethyl-3-oxidanyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[(2,2-dimethyl-3-oxidanyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[(6-benzyloxy-3-hydroxy-2,2-dimethyl-chroman-4-yl)-methylsulfonyl-amino]acetic acid CAS Name: 2-[(3-hydroxy-2,2-dimethyl-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-4-yl)-methylsulfonylamino]acetic acid IUPAC Name: 2-[(3-hydroxy-2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonylamino]acetic acid Traditional Name: 2-[(6-benzoxy-3-hydroxy-2,2-dimethyl-chroman-4-yl)-mesyl-amino]acetic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)N(CC(=O)O)S(=O)(=O)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3)N(CC(=O)O)S(=O)(=O)C)O)C

InChI

InChI=1S/C21H25NO7S/c1-21(2)20(25)19(22(12-18(23)24)30(3,26)27)16-11-15(9-10-17(16)29-21)28-13-14-7-5-4-6-8-14/h4-11,19-20,25H,12-13H2,1-3H3,(H,23,24)