4-(7-bromanyldibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(7-bromanyldibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(7-bromodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[(7-bromo-2-dibenzofuranyl)sulfonyl]-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(7-bromodibenzofuran-2-yl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(7-bromodibenzofuran-2-yl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H18BrNO5S2 MolecularWeight: 484.38392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)Br)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)OC4=C3C=CC(=C4)Br)C(=O)O)C

InChI

InChI=1S/C19H18BrNO5S2/c1-19(2)17(18(22)23)21(7-8-27-19)28(24,25)12-4-6-15-14(10-12)13-5-3-11(20)9-16(13)26-15/h3-6,9-10,17H,7-8H2,1-2H3,(H,22,23)