4-[4-(1-benzofuran-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(1-benzofuran-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(benzofuran-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(2-benzofuranyl)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(1-benzofuran-2-yl)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(benzofuran-2-yl)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H21NO5S2 MolecularWeight: 431.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4O3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4O3)C(=O)O)C

InChI

InChI=1S/C21H21NO5S2/c1-21(2)19(20(23)24)22(11-12-28-21)29(25,26)16-9-7-14(8-10-16)18-13-15-5-3-4-6-17(15)27-18/h3-10,13,19H,11-12H2,1-2H3,(H,23,24)