4-(phenylmethyl)sulfinyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid

Systemtic Name: 4-(phenylmethyl)sulfinyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid Openeye Name: 4-benzylsulfinyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid CAS Name: 4-(phenylmethyl)sulfinyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid IUPAC Name: 4-benzylsulfinyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butanoic acid Traditional Name: 4-benzylsulfinyl-2-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonylamino)butyric acid Formula: C23H25NO6S2 MolecularWeight: 475.5777

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=C(C=C3)S(=O)(=O)NC(CCS(=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=C(C=C3)S(=O)(=O)NC(CCS(=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H25NO6S2/c25-23(26)20(12-13-31(27)15-16-6-2-1-3-7-16)24-32(28,29)17-10-11-19-18-8-4-5-9-21(18)30-22(19)14-17/h1-3,6-7,10-11,14,20,24H,4-5,8-9,12-13,15H2,(H,25,26)