2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-(6,7,8,9-tetrahydrodibenzofuran-3-ylsulfonyl)thiomorpholine-3-carboxylic acid Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(O3)CCCC4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(O3)CCCC4)C(=O)O)C

InChI

InChI=1S/C19H23NO5S2/c1-19(2)17(18(21)22)20(9-10-26-19)27(23,24)12-7-8-14-13-5-3-4-6-15(13)25-16(14)11-12/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,21,22)